data_5902 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5902 _Entry.Title ; 1H, 13C, and 15N Resonance Assignments of the Hath-Domain of Hepatoma-derived Growth Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-13 _Entry.Accession_date 2003-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shih-Che Sue . . . 5902 2 Tai-huang Huang . . . 5902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 683 5902 '13C chemical shifts' 455 5902 '15N chemical shifts' 102 5902 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-24 . update author 'Update the chemical shifts' 5902 2 . . 2004-03-18 . update BMRB 'Citation Updated' 5902 3 . . 2004-03-07 . original author 'Original Release' 5902 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5902 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017145 _Citation.Full_citation . _Citation.Title ; Letter to Editor: Sequence specific 1H, 13C and 15N Resonance Assignments of the Hath-Domain of Human Hepatoma-Derived Growth Factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 95 _Citation.Page_last 96 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shih-Che Sue . . . 5902 1 2 Jeou-Yuan Chen . . . 5902 1 3 Tai-huang Huang . . . 5902 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HDGF 5902 1 hath-domain 5902 1 'growth factor' 5902 1 PWWP 5902 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5902 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12006088 _Citation.Full_citation ; Dietz F, Franken S, Yoshida K, Nakamura H, Kappler J, Gieselmann V. The family of hepatoma-derived growth factor proteins: characterization of a new member HRP-4 and classification of its subfamilies. Biochem J. 2002 Sep 1;366(Pt 2):491-500. ; _Citation.Title 'The family of hepatoma-derived growth factor proteins: characterization of a new member HRP-4 and classification of its subfamilies.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 366 _Citation.Journal_issue 'Pt 2' _Citation.Journal_ASTM . _Citation.Journal_ISSN 0264-6021 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 491 _Citation.Page_last 500 _Citation.Year 2002 _Citation.Details ; Hepatoma-derived growth factor (HDGF)-related proteins (HRPs) comprise a family of polypeptides named after HDGF, which was identified by its mitogenic activity towards fibroblasts. In the present study, we describe a hitherto unknown HRP, termed HRP-4. The cDNA of bovine HRP-4 (bHRP-4) predicts a polypeptide of 235 amino acids. Northern- and Western-blot analyses of various bovine tissues demonstrated that HRP-4 is only expressed in the testis. Recombinantly produced bHRP-4 and murine HDGF (mHDGF) histidine-tagged polypeptides display growth-factor activity for cultured primary human fibroblasts at an optimum concentration of 1 ng/ml in serum-free medium. The growth-factor activity declines with increasing concentrations to reach background levels at 1 microg/ml. The expression of the fusion proteins, bHRP-4-green fluorescent protein and mHDGF-green fluorescent protein, in HEK-293 cells demonstrates nuclear localization of the proteins. bHRP-4 and mHDGF bind to the glycosaminoglycans heparin and heparan sulphate, but not to chondroitin sulphate. Affinity constants determined for these interactions are between 6 and 42 nM. Comparison of the bHRP-4 amino acid sequence with HRP-1-3 and p52/75/lens epithelium-derived growth factor (LEDGF) shows that these proteins share a conserved N-terminal part of 91 amino acids but have C-termini of different lengths and charge. This demonstrates the modular structure of these proteins and allows its classification into three groups based on charge, size and sequence comparison. HRP-4, HRP-1 and HDGF are small acidic proteins, HRP-3 is a small basic protein, and HRP-2 and p52/75/LEDGF are larger basic proteins. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Frank Dietz F. . . 5902 2 2 Sebastian Franken S. . . 5902 2 3 Kenya Yoshida K. . . 5902 2 4 Hideji Nakamura H. . . 5902 2 5 Joachim Kappler J. . . 5902 2 6 Volkmar Gieselmann V. . . 5902 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5902 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11751870 _Citation.Full_citation ; Kishima Y, Yamamoto H, Izumoto Y, Yoshida K, Enomoto H, Yamamoto M, Kuroda T, Ito H, Yoshizaki K, Nakamura H. Hepatoma-derived growth factor stimulates cell growth after translocation to the nucleus by nuclear localization signals. J Biol Chem. 2002 Mar 22;277(12):10315-22. Epub 2001 Dec 18. ; _Citation.Title 'Hepatoma-derived growth factor stimulates cell growth after translocation to the nucleus by nuclear localization signals.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 277 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10315 _Citation.Page_last 10322 _Citation.Year 2002 _Citation.Details ; Hepatoma-derived growth factor (HDGF) is the original member of the HDGF family of proteins, which contains a well-conserved N-terminal amino acid sequence (homologous to the amino terminus of HDGF; hath) and nuclear localization signals (NLSs) in gene-specific regions other than the hath region. In addition to a bipartite NLS in a gene-specific region, an NLS-like sequence is also found in the hath region. In cells expressing green fluorescence protein (GFP)-HDGF, green fluorescence was observed in the nucleus, whereas it was detected in the cytoplasm of cells expressing GFP-HDGF with both NLSs mutated or deleted. GFP-hath protein (GFP-HATH) was distributed mainly in the nucleus, although some was present in the cytoplasm, whereas GFP-HDGF with a deleted hath region (HDGFnonHATH) was found only in the nucleus. Exogenously supplied GFP-HDGF was internalized and translocated to the nucleus. GFP-HATH was internalized, whereas GFP-HDGFnonHATH was not. Overexpression of HDGF stimulated DNA synthesis and cellular proliferation, although HDGF with both NLSs deleted did not. Overexpression of HDGFnonHATH caused a significant stimulation of DNA synthesis, whereas that of hath protein did not. HDGF containing the NLS sequence of p53 instead of the bipartite NLS did not stimulate DNA synthesis, and truncated forms without the C- or N-terminal side of NLS2 did not. These findings suggest that the gene-specific region, at least the bipartite NLS sequence and the N- and C-terminal neighboring portions, is essential for the mitogenic activity of HDGF after nuclear translocation. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoshihiko Kishima Y. . . 5902 3 2 Hiroyasu Yamamoto H. . . 5902 3 3 Yoshitaka Izumoto Y. . . 5902 3 4 Kenya Yoshida K. . . 5902 3 5 Hirayuki Enomoto H. . . 5902 3 6 Mitsunari Yamamoto M. . . 5902 3 7 Toshifumi Kuroda T. . . 5902 3 8 Hiroaki Ito H. . . 5902 3 9 Kazuyuki Yoshizaki K. . . 5902 3 10 Hideji Nakamura H. . . 5902 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 5902 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12842472 _Citation.Full_citation ; Slater LM, Allen MD, Bycroft M. Structural variation in PWWP domains. J Mol Biol. 2003 Jul 11;330(3):571-6. ; _Citation.Title 'Structural variation in PWWP domains.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 330 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 571 _Citation.Page_last 576 _Citation.Year 2003 _Citation.Details ; The PWWP domain is a ubiquitous eukaryotic protein module characterised by a region of sequence similarity of approximately 80 amino acids containing a highly conserved PWWP motif. It is frequently found in proteins associated with chromatin. We have determined the structure of a PWWP domain from the S. pombe protein SPBC215.07c using NMR spectroscopy. The structure is composed of a five stranded beta barrel followed by two alpha helices. Comparison to the recently reported structure of a homologous domain from the mammalian DNA methyltransferase Dnmt3b reveals substantial differences both in the C-terminal helical region and in the PWWP motif. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Leanne M.' Slater L. M. . 5902 4 2 'Mark D.' Allen M. D. . 5902 4 3 Mark Bycroft M. . . 5902 4 stop_ save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 5902 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11481329 _Citation.Full_citation ; Everett AD, Stoops T, McNamara CA. Nuclear targeting is required for hepatoma-derived growth factor-stimulated mitogenesis in vascular smooth muscle cells. J Biol Chem. 2001 Oct 5;276(40):37564-8. Epub 2001 Jul 31. ; _Citation.Title 'Nuclear targeting is required for hepatoma-derived growth factor-stimulated mitogenesis in vascular smooth muscle cells.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 276 _Citation.Journal_issue 40 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 37564 _Citation.Page_last 37568 _Citation.Year 2001 _Citation.Details ; We recently identified hepatoma-derived growth factor (HDGF) as a nuclear targeted vascular smooth muscle cell (VSM) mitogen that is expressed in developing vascular lesions. In the present study, VSM in culture express endogenous HDGF only in the nucleus and target a green fluorescent protein (GFP)-HDGF fusion to the nucleus. To define the features of the HDGF molecule that are essential for nuclear localization and mitogenic function, deletion and site-directed mutagenesis were performed. Deletion analysis identified the carboxyl-terminal half of HDGF to be responsible for nuclear targeting in VSM. Overexpression of tagged HDGF proteins with point mutations in the putative bipartite nuclear localization sequence in the carboxyl terminus demonstrated that single Lys --> Asn mutations randomized HDGF expression to both the nucleus and cytoplasm similar to the empty vector. Importantly, the Lys --> Asn mutation of all three lysines blocked nuclear entry. Point mutation of a p34(cdc2) kinase consensus motif within the nuclear localization sequence had no effect on nuclear targeting. Moreover, nuclear entry was essential for the HDGF mitogenic effect, as transfection with the triple Lys --> Asn mutant HA-HDGF significantly attenuated bromodeoxyuridine uptake when compared with transfection with wild type HA-HDGF. We conclude that HDGF contains a true bipartite nuclear localization sequence with all three lysines necessary for nuclear targeting. Nuclear targeting of HDGF is required for HDGF stimulation of DNA replication in VSM. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A.D. Everett A. D. . 5902 5 2 T. Stoops T. . . 5902 5 3 C.A. McNamara C. A. . 5902 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hath_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hath_domain _Assembly.Entry_ID 5902 _Assembly.ID 1 _Assembly.Name 'Hath domain of hepatoma-derived growth factor (hHDGF)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5902 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hath domain' 1 $hath_domain . . . native . . . . . 5902 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1KHC . . . . . 'The PWWP domain of mammalian DNA methyltransferase' 5902 1 . PDB 1H3Z . . . . . 'The PWWP domain from S. pombe protein SPBC215.07c' 5902 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hath domain of hepatoma-derived growth factor (hHDGF)' system 5902 1 'hath domain' abbreviation 5902 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'heparin-binding protein' 5902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hath_domain _Entity.Sf_category entity _Entity.Sf_framecode hath_domain _Entity.Entry_ID 5902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hath domain of hHDGF' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHAMAMSRSNRQKEY KCGDLVFAKMKGYPHWPARI DEMPEAAVKSTANKYQVFFF GTHETAFLGPKDLFPYEESK EKFGKPNKRKGFSEGLWEIE NNPTVKASGY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12772.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein contains N-terminal 10 residue His-tag, MHHHHHHAMA. Hath domain also contains a PWWP domain (residue 12 to 68), which might play a role in protein-protein interaction. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RI0 . "Nmr Structure Of The N-Terminal Hath Domain Of Human Hdgf" . . . . . 99.09 110 100.00 100.00 7.06e-75 . . . . 5902 1 2 no PDB 2B8A . "High Resolution Structure Of The Hdgf Pwwp Domain" . . . . . 90.91 110 100.00 100.00 5.47e-68 . . . . 5902 1 3 no PDB 2NLU . "Domain-Swapped Dimer Of The Pwwp Module Of Human Hepatoma- Derived Growth Factor" . . . . . 90.00 100 100.00 100.00 1.26e-66 . . . . 5902 1 4 no DBJ BAA03903 . "hepatoma-derived GF [Homo sapiens]" . . . . . 90.91 240 100.00 100.00 5.29e-68 . . . . 5902 1 5 no DBJ BAA09838 . "hepatoma derived growth factor [Mus musculus domesticus]" . . . . . 90.91 237 100.00 100.00 6.40e-68 . . . . 5902 1 6 no DBJ BAB30979 . "unnamed protein product [Mus musculus]" . . . . . 90.91 237 100.00 100.00 4.93e-68 . . . . 5902 1 7 no DBJ BAC26466 . "unnamed protein product [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 8 no DBJ BAC36126 . "unnamed protein product [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.50e-68 . . . . 5902 1 9 no EMBL CAB40626 . "hepatoma derived growth factor [Bos taurus]" . . . . . 90.91 239 100.00 100.00 4.86e-68 . . . . 5902 1 10 no EMBL CAH92417 . "hypothetical protein [Pongo abelii]" . . . . . 61.82 208 100.00 100.00 8.42e-41 . . . . 5902 1 11 no GB AAF65469 . "TDRM1 protein [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 12 no GB AAH05713 . "Hepatoma-derived growth factor [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 13 no GB AAH18991 . "HDGF protein [Homo sapiens]" . . . . . 90.91 240 100.00 100.00 5.29e-68 . . . . 5902 1 14 no GB AAH21654 . "Hepatoma-derived growth factor [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 15 no GB AAH70943 . "Hepatoma-derived growth factor [Rattus norvegicus]" . . . . . 90.91 237 100.00 100.00 8.68e-68 . . . . 5902 1 16 no REF NP_001119522 . "hepatoma-derived growth factor isoform b [Homo sapiens]" . . . . . 67.27 256 97.30 97.30 8.82e-43 . . . . 5902 1 17 no REF NP_001119523 . "hepatoma-derived growth factor isoform c [Homo sapiens]" . . . . . 66.36 233 98.63 98.63 2.49e-43 . . . . 5902 1 18 no REF NP_004485 . "hepatoma-derived growth factor isoform a [Homo sapiens]" . . . . . 90.91 240 100.00 100.00 5.29e-68 . . . . 5902 1 19 no REF NP_032257 . "hepatoma-derived growth factor [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 20 no REF NP_446159 . "hepatoma-derived growth factor [Rattus norvegicus]" . . . . . 90.91 237 100.00 100.00 8.68e-68 . . . . 5902 1 21 no SP P51858 . "RecName: Full=Hepatoma-derived growth factor; Short=HDGF; AltName: Full=High mobility group protein 1-like 2; Short=HMG-1L2 [Ho" . . . . . 90.91 240 100.00 100.00 5.29e-68 . . . . 5902 1 22 no SP P51859 . "RecName: Full=Hepatoma-derived growth factor; Short=HDGF [Mus musculus]" . . . . . 90.91 237 100.00 100.00 5.04e-68 . . . . 5902 1 23 no SP Q8VHK7 . "RecName: Full=Hepatoma-derived growth factor; Short=HDGF [Rattus norvegicus]" . . . . . 90.91 237 100.00 100.00 8.68e-68 . . . . 5902 1 24 no SP Q9XSK7 . "RecName: Full=Hepatoma-derived growth factor; Short=HDGF [Bos taurus]" . . . . . 90.91 239 100.00 100.00 4.86e-68 . . . . 5902 1 25 no TPG DAA31759 . "TPA: hepatoma-derived growth factor [Bos taurus]" . . . . . 90.91 238 100.00 100.00 5.55e-68 . . . . 5902 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hath domain of hHDGF' common 5902 1 'hath domain' variant 5902 1 HDGF abbreviation 5902 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -10 MET . 5902 1 2 -9 HIS . 5902 1 3 -8 HIS . 5902 1 4 -7 HIS . 5902 1 5 -6 HIS . 5902 1 6 -5 HIS . 5902 1 7 -4 HIS . 5902 1 8 -3 ALA . 5902 1 9 -2 MET . 5902 1 10 -1 ALA . 5902 1 11 1 MET . 5902 1 12 2 SER . 5902 1 13 3 ARG . 5902 1 14 4 SER . 5902 1 15 5 ASN . 5902 1 16 6 ARG . 5902 1 17 7 GLN . 5902 1 18 8 LYS . 5902 1 19 9 GLU . 5902 1 20 10 TYR . 5902 1 21 11 LYS . 5902 1 22 12 CYS . 5902 1 23 13 GLY . 5902 1 24 14 ASP . 5902 1 25 15 LEU . 5902 1 26 16 VAL . 5902 1 27 17 PHE . 5902 1 28 18 ALA . 5902 1 29 19 LYS . 5902 1 30 20 MET . 5902 1 31 21 LYS . 5902 1 32 22 GLY . 5902 1 33 23 TYR . 5902 1 34 24 PRO . 5902 1 35 25 HIS . 5902 1 36 26 TRP . 5902 1 37 27 PRO . 5902 1 38 28 ALA . 5902 1 39 29 ARG . 5902 1 40 30 ILE . 5902 1 41 31 ASP . 5902 1 42 32 GLU . 5902 1 43 33 MET . 5902 1 44 34 PRO . 5902 1 45 35 GLU . 5902 1 46 36 ALA . 5902 1 47 37 ALA . 5902 1 48 38 VAL . 5902 1 49 39 LYS . 5902 1 50 40 SER . 5902 1 51 41 THR . 5902 1 52 42 ALA . 5902 1 53 43 ASN . 5902 1 54 44 LYS . 5902 1 55 45 TYR . 5902 1 56 46 GLN . 5902 1 57 47 VAL . 5902 1 58 48 PHE . 5902 1 59 49 PHE . 5902 1 60 50 PHE . 5902 1 61 51 GLY . 5902 1 62 52 THR . 5902 1 63 53 HIS . 5902 1 64 54 GLU . 5902 1 65 55 THR . 5902 1 66 56 ALA . 5902 1 67 57 PHE . 5902 1 68 58 LEU . 5902 1 69 59 GLY . 5902 1 70 60 PRO . 5902 1 71 61 LYS . 5902 1 72 62 ASP . 5902 1 73 63 LEU . 5902 1 74 64 PHE . 5902 1 75 65 PRO . 5902 1 76 66 TYR . 5902 1 77 67 GLU . 5902 1 78 68 GLU . 5902 1 79 69 SER . 5902 1 80 70 LYS . 5902 1 81 71 GLU . 5902 1 82 72 LYS . 5902 1 83 73 PHE . 5902 1 84 74 GLY . 5902 1 85 75 LYS . 5902 1 86 76 PRO . 5902 1 87 77 ASN . 5902 1 88 78 LYS . 5902 1 89 79 ARG . 5902 1 90 80 LYS . 5902 1 91 81 GLY . 5902 1 92 82 PHE . 5902 1 93 83 SER . 5902 1 94 84 GLU . 5902 1 95 85 GLY . 5902 1 96 86 LEU . 5902 1 97 87 TRP . 5902 1 98 88 GLU . 5902 1 99 89 ILE . 5902 1 100 90 GLU . 5902 1 101 91 ASN . 5902 1 102 92 ASN . 5902 1 103 93 PRO . 5902 1 104 94 THR . 5902 1 105 95 VAL . 5902 1 106 96 LYS . 5902 1 107 97 ALA . 5902 1 108 98 SER . 5902 1 109 99 GLY . 5902 1 110 100 TYR . 5902 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5902 1 . HIS 2 2 5902 1 . HIS 3 3 5902 1 . HIS 4 4 5902 1 . HIS 5 5 5902 1 . HIS 6 6 5902 1 . HIS 7 7 5902 1 . ALA 8 8 5902 1 . MET 9 9 5902 1 . ALA 10 10 5902 1 . MET 11 11 5902 1 . SER 12 12 5902 1 . ARG 13 13 5902 1 . SER 14 14 5902 1 . ASN 15 15 5902 1 . ARG 16 16 5902 1 . GLN 17 17 5902 1 . LYS 18 18 5902 1 . GLU 19 19 5902 1 . TYR 20 20 5902 1 . LYS 21 21 5902 1 . CYS 22 22 5902 1 . GLY 23 23 5902 1 . ASP 24 24 5902 1 . LEU 25 25 5902 1 . VAL 26 26 5902 1 . PHE 27 27 5902 1 . ALA 28 28 5902 1 . LYS 29 29 5902 1 . MET 30 30 5902 1 . LYS 31 31 5902 1 . GLY 32 32 5902 1 . TYR 33 33 5902 1 . PRO 34 34 5902 1 . HIS 35 35 5902 1 . TRP 36 36 5902 1 . PRO 37 37 5902 1 . ALA 38 38 5902 1 . ARG 39 39 5902 1 . ILE 40 40 5902 1 . ASP 41 41 5902 1 . GLU 42 42 5902 1 . MET 43 43 5902 1 . PRO 44 44 5902 1 . GLU 45 45 5902 1 . ALA 46 46 5902 1 . ALA 47 47 5902 1 . VAL 48 48 5902 1 . LYS 49 49 5902 1 . SER 50 50 5902 1 . THR 51 51 5902 1 . ALA 52 52 5902 1 . ASN 53 53 5902 1 . LYS 54 54 5902 1 . TYR 55 55 5902 1 . GLN 56 56 5902 1 . VAL 57 57 5902 1 . PHE 58 58 5902 1 . PHE 59 59 5902 1 . PHE 60 60 5902 1 . GLY 61 61 5902 1 . THR 62 62 5902 1 . HIS 63 63 5902 1 . GLU 64 64 5902 1 . THR 65 65 5902 1 . ALA 66 66 5902 1 . PHE 67 67 5902 1 . LEU 68 68 5902 1 . GLY 69 69 5902 1 . PRO 70 70 5902 1 . LYS 71 71 5902 1 . ASP 72 72 5902 1 . LEU 73 73 5902 1 . PHE 74 74 5902 1 . PRO 75 75 5902 1 . TYR 76 76 5902 1 . GLU 77 77 5902 1 . GLU 78 78 5902 1 . SER 79 79 5902 1 . LYS 80 80 5902 1 . GLU 81 81 5902 1 . LYS 82 82 5902 1 . PHE 83 83 5902 1 . GLY 84 84 5902 1 . LYS 85 85 5902 1 . PRO 86 86 5902 1 . ASN 87 87 5902 1 . LYS 88 88 5902 1 . ARG 89 89 5902 1 . LYS 90 90 5902 1 . GLY 91 91 5902 1 . PHE 92 92 5902 1 . SER 93 93 5902 1 . GLU 94 94 5902 1 . GLY 95 95 5902 1 . LEU 96 96 5902 1 . TRP 97 97 5902 1 . GLU 98 98 5902 1 . ILE 99 99 5902 1 . GLU 100 100 5902 1 . ASN 101 101 5902 1 . ASN 102 102 5902 1 . PRO 103 103 5902 1 . THR 104 104 5902 1 . VAL 105 105 5902 1 . LYS 106 106 5902 1 . ALA 107 107 5902 1 . SER 108 108 5902 1 . GLY 109 109 5902 1 . TYR 110 110 5902 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5902 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hath_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . liver . . 'hepatoma-derived cell' 'tumor cell' . . . . nucleus . . . 'Huama Hepatoma-derived growth factor (hHDGF)' . . . . 5902 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5902 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hath_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET6H . . . 'E. coli system was used for protein expression.' . . 5902 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5902 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hath domain of hHDGF' '[U-13C; U-15N]' . . 1 $hath_domain . . 2.0 . . mM . . . . 5902 1 2 Na2HPO4 . . . . . . . 100 . . mM . . . . 5902 1 3 NaCl . . . . . . . 150 . . mM . . . . 5902 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5902 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hath domain of hHDGF' '[U-13C; U-15N]' . . 1 $hath_domain . . 1.0 . . mM . . . . 5902 2 2 Na2HPO4 . . . . . . . 100 . . mM . . . . 5902 2 3 NaCl . . . . . . . 150 . . mM . . . . 5902 2 4 D2O . . . . . . . 100 . . % . . . . 5902 2 stop_ save_ ####################### # Sample conditions # ####################### save_EX-condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-condition _Sample_condition_list.Entry_ID 5902 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 5902 1 temperature 298 0.2 K 5902 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5902 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5902 1 stop_ save_ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5902 _Software.ID 2 _Software.Name Aurelia _Software.Version 2.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5902 2 'peak picking' 5902 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5902 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5902 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 5902 1 2 NMR_spectrometer_2 Bruker AVANCE . 500 . . . 5902 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5902 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 2 HNCA . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 4 HNCO . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 9 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 10 H(CC)(CO)NH . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 11 CC(CO)NH . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $EX-condition . . . . . . . . . . . . . . . . . . . . . 5902 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CC)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5902 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'NMR spectrometers were equipped with TXI quadruple probe.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5902 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5902 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5902 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5902 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5902 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 MET H H 1 8.428 0.02 . 1 . . . . . . . . 5902 1 2 . 1 1 11 11 MET HA H 1 4.466 0.02 . 1 . . . . . . . . 5902 1 3 . 1 1 11 11 MET HB2 H 1 2.040 0.02 . 2 . . . . . . . . 5902 1 4 . 1 1 11 11 MET HB3 H 1 2.107 0.02 . 2 . . . . . . . . 5902 1 5 . 1 1 11 11 MET HG2 H 1 2.557 0.02 . 2 . . . . . . . . 5902 1 6 . 1 1 11 11 MET HG3 H 1 2.626 0.02 . 2 . . . . . . . . 5902 1 7 . 1 1 11 11 MET C C 13 176.243 0.2 . 1 . . . . . . . . 5902 1 8 . 1 1 11 11 MET CA C 13 55.384 0.2 . 1 . . . . . . . . 5902 1 9 . 1 1 11 11 MET CB C 13 32.524 0.2 . 1 . . . . . . . . 5902 1 10 . 1 1 11 11 MET CG C 13 31.842 0.2 . 1 . . . . . . . . 5902 1 11 . 1 1 11 11 MET N N 15 119.359 0.2 . 1 . . . . . . . . 5902 1 12 . 1 1 12 12 SER H H 1 8.325 0.02 . 1 . . . . . . . . 5902 1 13 . 1 1 12 12 SER HA H 1 4.476 0.02 . 1 . . . . . . . . 5902 1 14 . 1 1 12 12 SER HB2 H 1 3.927 0.02 . 1 . . . . . . . . 5902 1 15 . 1 1 12 12 SER HB3 H 1 3.927 0.02 . 1 . . . . . . . . 5902 1 16 . 1 1 12 12 SER C C 13 174.561 0.2 . 1 . . . . . . . . 5902 1 17 . 1 1 12 12 SER CA C 13 58.336 0.2 . 1 . . . . . . . . 5902 1 18 . 1 1 12 12 SER CB C 13 63.706 0.2 . 1 . . . . . . . . 5902 1 19 . 1 1 12 12 SER N N 15 116.455 0.2 . 1 . . . . . . . . 5902 1 20 . 1 1 13 13 ARG H H 1 8.457 0.02 . 1 . . . . . . . . 5902 1 21 . 1 1 13 13 ARG HA H 1 4.398 0.02 . 1 . . . . . . . . 5902 1 22 . 1 1 13 13 ARG HB2 H 1 1.952 0.02 . 2 . . . . . . . . 5902 1 23 . 1 1 13 13 ARG HB3 H 1 1.826 0.02 . 2 . . . . . . . . 5902 1 24 . 1 1 13 13 ARG HG2 H 1 1.667 0.02 . 1 . . . . . . . . 5902 1 25 . 1 1 13 13 ARG HG3 H 1 1.667 0.02 . 1 . . . . . . . . 5902 1 26 . 1 1 13 13 ARG HD2 H 1 3.248 0.02 . 1 . . . . . . . . 5902 1 27 . 1 1 13 13 ARG HD3 H 1 3.248 0.02 . 1 . . . . . . . . 5902 1 28 . 1 1 13 13 ARG C C 13 176.373 0.2 . 1 . . . . . . . . 5902 1 29 . 1 1 13 13 ARG CA C 13 56.229 0.2 . 1 . . . . . . . . 5902 1 30 . 1 1 13 13 ARG CB C 13 30.621 0.2 . 1 . . . . . . . . 5902 1 31 . 1 1 13 13 ARG CG C 13 27 0.2 . 1 . . . . . . . . 5902 1 32 . 1 1 13 13 ARG CD C 13 43.197 0.2 . 1 . . . . . . . . 5902 1 33 . 1 1 13 13 ARG N N 15 122.387 0.2 . 1 . . . . . . . . 5902 1 34 . 1 1 14 14 SER H H 1 8.37 0.02 . 1 . . . . . . . . 5902 1 35 . 1 1 14 14 SER HA H 1 4.463 0.02 . 1 . . . . . . . . 5902 1 36 . 1 1 14 14 SER HB2 H 1 3.903 0.02 . 1 . . . . . . . . 5902 1 37 . 1 1 14 14 SER HB3 H 1 3.903 0.02 . 1 . . . . . . . . 5902 1 38 . 1 1 14 14 SER C C 13 174.272 0.2 . 1 . . . . . . . . 5902 1 39 . 1 1 14 14 SER CA C 13 58.473 0.2 . 1 . . . . . . . . 5902 1 40 . 1 1 14 14 SER CB C 13 63.600 0.2 . 1 . . . . . . . . 5902 1 41 . 1 1 14 14 SER N N 15 115.836 0.2 . 1 . . . . . . . . 5902 1 42 . 1 1 15 15 ASN H H 1 8.472 0.02 . 1 . . . . . . . . 5902 1 43 . 1 1 15 15 ASN HA H 1 4.743 0.02 . 1 . . . . . . . . 5902 1 44 . 1 1 15 15 ASN HB2 H 1 2.834 0.02 . 2 . . . . . . . . 5902 1 45 . 1 1 15 15 ASN HB3 H 1 2.881 0.02 . 2 . . . . . . . . 5902 1 46 . 1 1 15 15 ASN HD21 H 1 7.629 0.02 . 2 . . . . . . . . 5902 1 47 . 1 1 15 15 ASN HD22 H 1 6.936 0.02 . 2 . . . . . . . . 5902 1 48 . 1 1 15 15 ASN C C 13 174.966 0.2 . 1 . . . . . . . . 5902 1 49 . 1 1 15 15 ASN CA C 13 53.188 0.2 . 1 . . . . . . . . 5902 1 50 . 1 1 15 15 ASN CB C 13 38.655 0.2 . 1 . . . . . . . . 5902 1 51 . 1 1 15 15 ASN N N 15 120.113 0.2 . 1 . . . . . . . . 5902 1 52 . 1 1 15 15 ASN ND2 N 15 112.493 0.2 . 1 . . . . . . . . 5902 1 53 . 1 1 16 16 ARG H H 1 8.224 0.02 . 1 . . . . . . . . 5902 1 54 . 1 1 16 16 ARG HA H 1 4.319 0.02 . 1 . . . . . . . . 5902 1 55 . 1 1 16 16 ARG HB2 H 1 1.885 0.02 . 2 . . . . . . . . 5902 1 56 . 1 1 16 16 ARG HB3 H 1 1.793 0.02 . 2 . . . . . . . . 5902 1 57 . 1 1 16 16 ARG HG2 H 1 1.664 0.02 . 1 . . . . . . . . 5902 1 58 . 1 1 16 16 ARG HG3 H 1 1.664 0.02 . 1 . . . . . . . . 5902 1 59 . 1 1 16 16 ARG HD2 H 1 3.275 0.02 . 1 . . . . . . . . 5902 1 60 . 1 1 16 16 ARG HD3 H 1 3.275 0.02 . 1 . . . . . . . . 5902 1 61 . 1 1 16 16 ARG C C 13 175.96 0.2 . 1 . . . . . . . . 5902 1 62 . 1 1 16 16 ARG CA C 13 56.085 0.2 . 1 . . . . . . . . 5902 1 63 . 1 1 16 16 ARG CB C 13 30.516 0.2 . 1 . . . . . . . . 5902 1 64 . 1 1 16 16 ARG CG C 13 26.879 0.2 . 1 . . . . . . . . 5902 1 65 . 1 1 16 16 ARG CD C 13 43.197 0.2 . 1 . . . . . . . . 5902 1 66 . 1 1 16 16 ARG N N 15 120.157 0.2 . 1 . . . . . . . . 5902 1 67 . 1 1 17 17 GLN H H 1 8.383 0.02 . 1 . . . . . . . . 5902 1 68 . 1 1 17 17 GLN HA H 1 4.299 0.02 . 1 . . . . . . . . 5902 1 69 . 1 1 17 17 GLN HB2 H 1 2.016 0.02 . 2 . . . . . . . . 5902 1 70 . 1 1 17 17 GLN HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5902 1 71 . 1 1 17 17 GLN HG2 H 1 2.349 0.02 . 1 . . . . . . . . 5902 1 72 . 1 1 17 17 GLN HG3 H 1 2.349 0.02 . 1 . . . . . . . . 5902 1 73 . 1 1 17 17 GLN HE21 H 1 7.536 0.02 . 2 . . . . . . . . 5902 1 74 . 1 1 17 17 GLN HE22 H 1 6.906 0.02 . 2 . . . . . . . . 5902 1 75 . 1 1 17 17 GLN C C 13 175.44 0.2 . 1 . . . . . . . . 5902 1 76 . 1 1 17 17 GLN CA C 13 55.78 0.2 . 1 . . . . . . . . 5902 1 77 . 1 1 17 17 GLN CB C 13 29.142 0.2 . 1 . . . . . . . . 5902 1 78 . 1 1 17 17 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 5902 1 79 . 1 1 17 17 GLN N N 15 120.991 0.2 . 1 . . . . . . . . 5902 1 80 . 1 1 17 17 GLN NE2 N 15 112.493 0.2 . 1 . . . . . . . . 5902 1 81 . 1 1 18 18 LYS H H 1 8.269 0.02 . 1 . . . . . . . . 5902 1 82 . 1 1 18 18 LYS HA H 1 4.189 0.02 . 1 . . . . . . . . 5902 1 83 . 1 1 18 18 LYS HB2 H 1 1.645 0.02 . 1 . . . . . . . . 5902 1 84 . 1 1 18 18 LYS HB3 H 1 1.645 0.02 . 1 . . . . . . . . 5902 1 85 . 1 1 18 18 LYS HG2 H 1 1.23 0.02 . 1 . . . . . . . . 5902 1 86 . 1 1 18 18 LYS HG3 H 1 1.23 0.02 . 1 . . . . . . . . 5902 1 87 . 1 1 18 18 LYS HD2 H 1 1.636 0.02 . 1 . . . . . . . . 5902 1 88 . 1 1 18 18 LYS HD3 H 1 1.636 0.02 . 1 . . . . . . . . 5902 1 89 . 1 1 18 18 LYS HE2 H 1 2.913 0.02 . 1 . . . . . . . . 5902 1 90 . 1 1 18 18 LYS HE3 H 1 2.913 0.02 . 1 . . . . . . . . 5902 1 91 . 1 1 18 18 LYS C C 13 175.394 0.2 . 1 . . . . . . . . 5902 1 92 . 1 1 18 18 LYS CA C 13 56.095 0.2 . 1 . . . . . . . . 5902 1 93 . 1 1 18 18 LYS CB C 13 32.841 0.2 . 1 . . . . . . . . 5902 1 94 . 1 1 18 18 LYS CG C 13 24.368 0.2 . 1 . . . . . . . . 5902 1 95 . 1 1 18 18 LYS CD C 13 28.851 0.2 . 1 . . . . . . . . 5902 1 96 . 1 1 18 18 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 97 . 1 1 18 18 LYS N N 15 122.938 0.2 . 1 . . . . . . . . 5902 1 98 . 1 1 19 19 GLU H H 1 8.145 0.02 . 1 . . . . . . . . 5902 1 99 . 1 1 19 19 GLU HA H 1 4.358 0.02 . 1 . . . . . . . . 5902 1 100 . 1 1 19 19 GLU HB2 H 1 1.935 0.02 . 1 . . . . . . . . 5902 1 101 . 1 1 19 19 GLU HB3 H 1 1.935 0.02 . 1 . . . . . . . . 5902 1 102 . 1 1 19 19 GLU HG2 H 1 2.299 0.02 . 1 . . . . . . . . 5902 1 103 . 1 1 19 19 GLU HG3 H 1 2.299 0.02 . 1 . . . . . . . . 5902 1 104 . 1 1 19 19 GLU C C 13 175.151 0.2 . 1 . . . . . . . . 5902 1 105 . 1 1 19 19 GLU CA C 13 55.683 0.2 . 1 . . . . . . . . 5902 1 106 . 1 1 19 19 GLU CB C 13 30.727 0.2 . 1 . . . . . . . . 5902 1 107 . 1 1 19 19 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5902 1 108 . 1 1 19 19 GLU N N 15 121.371 0.2 . 1 . . . . . . . . 5902 1 109 . 1 1 20 20 TYR H H 1 7.652 0.02 . 1 . . . . . . . . 5902 1 110 . 1 1 20 20 TYR HA H 1 4.595 0.02 . 1 . . . . . . . . 5902 1 111 . 1 1 20 20 TYR HB2 H 1 2.881 0.02 . 2 . . . . . . . . 5902 1 112 . 1 1 20 20 TYR HB3 H 1 2.092 0.02 . 2 . . . . . . . . 5902 1 113 . 1 1 20 20 TYR HD1 H 1 6.847 0.02 . 1 . . . . . . . . 5902 1 114 . 1 1 20 20 TYR HD2 H 1 6.847 0.02 . 1 . . . . . . . . 5902 1 115 . 1 1 20 20 TYR HE1 H 1 6.507 0.02 . 1 . . . . . . . . 5902 1 116 . 1 1 20 20 TYR HE2 H 1 6.507 0.02 . 1 . . . . . . . . 5902 1 117 . 1 1 20 20 TYR C C 13 174.042 0.2 . 1 . . . . . . . . 5902 1 118 . 1 1 20 20 TYR CA C 13 58.022 0.2 . 1 . . . . . . . . 5902 1 119 . 1 1 20 20 TYR CB C 13 41.086 0.2 . 1 . . . . . . . . 5902 1 120 . 1 1 20 20 TYR CD1 C 13 131.828 0.2 . 1 . . . . . . . . 5902 1 121 . 1 1 20 20 TYR CD2 C 13 131.828 0.2 . 1 . . . . . . . . 5902 1 122 . 1 1 20 20 TYR CE1 C 13 116.597 0.2 . 1 . . . . . . . . 5902 1 123 . 1 1 20 20 TYR CE2 C 13 116.597 0.2 . 1 . . . . . . . . 5902 1 124 . 1 1 20 20 TYR N N 15 119.811 0.2 . 1 . . . . . . . . 5902 1 125 . 1 1 21 21 LYS H H 1 8.87 0.02 . 1 . . . . . . . . 5902 1 126 . 1 1 21 21 LYS HA H 1 4.89 0.02 . 1 . . . . . . . . 5902 1 127 . 1 1 21 21 LYS HB2 H 1 1.734 0.02 . 2 . . . . . . . . 5902 1 128 . 1 1 21 21 LYS HB3 H 1 1.834 0.02 . 2 . . . . . . . . 5902 1 129 . 1 1 21 21 LYS HG2 H 1 1.374 0.02 . 1 . . . . . . . . 5902 1 130 . 1 1 21 21 LYS HG3 H 1 1.374 0.02 . 1 . . . . . . . . 5902 1 131 . 1 1 21 21 LYS HD2 H 1 1.558 0.02 . 1 . . . . . . . . 5902 1 132 . 1 1 21 21 LYS HD3 H 1 1.558 0.02 . 1 . . . . . . . . 5902 1 133 . 1 1 21 21 LYS HE2 H 1 3.073 0.02 . 1 . . . . . . . . 5902 1 134 . 1 1 21 21 LYS HE3 H 1 3.073 0.02 . 1 . . . . . . . . 5902 1 135 . 1 1 21 21 LYS C C 13 175.622 0.2 . 1 . . . . . . . . 5902 1 136 . 1 1 21 21 LYS CA C 13 53.776 0.2 . 1 . . . . . . . . 5902 1 137 . 1 1 21 21 LYS CB C 13 35.378 0.2 . 1 . . . . . . . . 5902 1 138 . 1 1 21 21 LYS CG C 13 24.225 0.2 . 1 . . . . . . . . 5902 1 139 . 1 1 21 21 LYS CD C 13 23.93 0.2 . 1 . . . . . . . . 5902 1 140 . 1 1 21 21 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 141 . 1 1 21 21 LYS N N 15 119.191 0.2 . 1 . . . . . . . . 5902 1 142 . 1 1 22 22 CYS H H 1 8.387 0.02 . 1 . . . . . . . . 5902 1 143 . 1 1 22 22 CYS HA H 1 3.813 0.02 . 1 . . . . . . . . 5902 1 144 . 1 1 22 22 CYS HB2 H 1 2.801 0.02 . 2 . . . . . . . . 5902 1 145 . 1 1 22 22 CYS HB3 H 1 2.906 0.02 . 2 . . . . . . . . 5902 1 146 . 1 1 22 22 CYS C C 13 175.901 0.2 . 1 . . . . . . . . 5902 1 147 . 1 1 22 22 CYS CA C 13 61.759 0.2 . 1 . . . . . . . . 5902 1 148 . 1 1 22 22 CYS CB C 13 26.182 0.2 . 1 . . . . . . . . 5902 1 149 . 1 1 22 22 CYS N N 15 118.338 0.2 . 1 . . . . . . . . 5902 1 150 . 1 1 23 23 GLY H H 1 9.732 0.02 . 1 . . . . . . . . 5902 1 151 . 1 1 23 23 GLY HA2 H 1 3.491 0.02 . 2 . . . . . . . . 5902 1 152 . 1 1 23 23 GLY HA3 H 1 4.459 0.02 . 2 . . . . . . . . 5902 1 153 . 1 1 23 23 GLY C C 13 174.075 0.2 . 1 . . . . . . . . 5902 1 154 . 1 1 23 23 GLY CA C 13 44.562 0.2 . 1 . . . . . . . . 5902 1 155 . 1 1 23 23 GLY N N 15 115.587 0.2 . 1 . . . . . . . . 5902 1 156 . 1 1 24 24 ASP H H 1 8.107 0.02 . 1 . . . . . . . . 5902 1 157 . 1 1 24 24 ASP HA H 1 4.624 0.02 . 1 . . . . . . . . 5902 1 158 . 1 1 24 24 ASP HB2 H 1 2.997 0.02 . 2 . . . . . . . . 5902 1 159 . 1 1 24 24 ASP HB3 H 1 2.620 0.02 . 2 . . . . . . . . 5902 1 160 . 1 1 24 24 ASP C C 13 174.873 0.2 . 1 . . . . . . . . 5902 1 161 . 1 1 24 24 ASP CA C 13 55.57 0.2 . 1 . . . . . . . . 5902 1 162 . 1 1 24 24 ASP CB C 13 41.086 0.2 . 1 . . . . . . . . 5902 1 163 . 1 1 24 24 ASP N N 15 120.576 0.2 . 1 . . . . . . . . 5902 1 164 . 1 1 25 25 LEU H H 1 8.571 0.02 . 1 . . . . . . . . 5902 1 165 . 1 1 25 25 LEU HA H 1 5.138 0.02 . 1 . . . . . . . . 5902 1 166 . 1 1 25 25 LEU HB2 H 1 1.147 0.02 . 2 . . . . . . . . 5902 1 167 . 1 1 25 25 LEU HB3 H 1 1.964 0.02 . 2 . . . . . . . . 5902 1 168 . 1 1 25 25 LEU HG H 1 2.043 0.02 . 1 . . . . . . . . 5902 1 169 . 1 1 25 25 LEU HD11 H 1 0.867 0.02 . 2 . . . . . . . . 5902 1 170 . 1 1 25 25 LEU HD12 H 1 0.867 0.02 . 2 . . . . . . . . 5902 1 171 . 1 1 25 25 LEU HD13 H 1 0.867 0.02 . 2 . . . . . . . . 5902 1 172 . 1 1 25 25 LEU HD21 H 1 1.052 0.02 . 2 . . . . . . . . 5902 1 173 . 1 1 25 25 LEU HD22 H 1 1.052 0.02 . 2 . . . . . . . . 5902 1 174 . 1 1 25 25 LEU HD23 H 1 1.052 0.02 . 2 . . . . . . . . 5902 1 175 . 1 1 25 25 LEU C C 13 177.65 0.2 . 1 . . . . . . . . 5902 1 176 . 1 1 25 25 LEU CA C 13 53.559 0.2 . 1 . . . . . . . . 5902 1 177 . 1 1 25 25 LEU CB C 13 41.297 0.2 . 1 . . . . . . . . 5902 1 178 . 1 1 25 25 LEU CG C 13 26.161 0.2 . 1 . . . . . . . . 5902 1 179 . 1 1 25 25 LEU CD1 C 13 25.054 0.2 . 1 . . . . . . . . 5902 1 180 . 1 1 25 25 LEU CD2 C 13 21.647 0.2 . 1 . . . . . . . . 5902 1 181 . 1 1 25 25 LEU N N 15 119.573 0.2 . 1 . . . . . . . . 5902 1 182 . 1 1 26 26 VAL H H 1 9.038 0.02 . 1 . . . . . . . . 5902 1 183 . 1 1 26 26 VAL HA H 1 5.35 0.02 . 1 . . . . . . . . 5902 1 184 . 1 1 26 26 VAL HB H 1 2.211 0.02 . 1 . . . . . . . . 5902 1 185 . 1 1 26 26 VAL HG11 H 1 0.308 0.02 . 2 . . . . . . . . 5902 1 186 . 1 1 26 26 VAL HG12 H 1 0.308 0.02 . 2 . . . . . . . . 5902 1 187 . 1 1 26 26 VAL HG13 H 1 0.308 0.02 . 2 . . . . . . . . 5902 1 188 . 1 1 26 26 VAL HG21 H 1 0.479 0.02 . 2 . . . . . . . . 5902 1 189 . 1 1 26 26 VAL HG22 H 1 0.479 0.02 . 2 . . . . . . . . 5902 1 190 . 1 1 26 26 VAL HG23 H 1 0.479 0.02 . 2 . . . . . . . . 5902 1 191 . 1 1 26 26 VAL C C 13 175.456 0.2 . 1 . . . . . . . . 5902 1 192 . 1 1 26 26 VAL CA C 13 59.189 0.2 . 1 . . . . . . . . 5902 1 193 . 1 1 26 26 VAL CB C 13 36.646 0.2 . 1 . . . . . . . . 5902 1 194 . 1 1 26 26 VAL CG1 C 13 17.733 0.2 . 1 . . . . . . . . 5902 1 195 . 1 1 26 26 VAL CG2 C 13 22.754 0.2 . 1 . . . . . . . . 5902 1 196 . 1 1 26 26 VAL N N 15 117.065 0.2 . 1 . . . . . . . . 5902 1 197 . 1 1 27 27 PHE H H 1 9.511 0.02 . 1 . . . . . . . . 5902 1 198 . 1 1 27 27 PHE HA H 1 5.237 0.02 . 1 . . . . . . . . 5902 1 199 . 1 1 27 27 PHE HB2 H 1 2.686 0.02 . 2 . . . . . . . . 5902 1 200 . 1 1 27 27 PHE HB3 H 1 2.864 0.02 . 2 . . . . . . . . 5902 1 201 . 1 1 27 27 PHE C C 13 174.954 0.2 . 1 . . . . . . . . 5902 1 202 . 1 1 27 27 PHE CA C 13 58.556 0.2 . 1 . . . . . . . . 5902 1 203 . 1 1 27 27 PHE CB C 13 42.566 0.2 . 1 . . . . . . . . 5902 1 204 . 1 1 27 27 PHE N N 15 113.144 0.2 . 1 . . . . . . . . 5902 1 205 . 1 1 28 28 ALA H H 1 9.657 0.02 . 1 . . . . . . . . 5902 1 206 . 1 1 28 28 ALA HA H 1 5.564 0.02 . 1 . . . . . . . . 5902 1 207 . 1 1 28 28 ALA HB1 H 1 0.985 0.02 . 1 . . . . . . . . 5902 1 208 . 1 1 28 28 ALA HB2 H 1 0.985 0.02 . 1 . . . . . . . . 5902 1 209 . 1 1 28 28 ALA HB3 H 1 0.985 0.02 . 1 . . . . . . . . 5902 1 210 . 1 1 28 28 ALA C C 13 177.169 0.2 . 1 . . . . . . . . 5902 1 211 . 1 1 28 28 ALA CA C 13 49.66 0.2 . 1 . . . . . . . . 5902 1 212 . 1 1 28 28 ALA CB C 13 23.539 0.2 . 1 . . . . . . . . 5902 1 213 . 1 1 28 28 ALA N N 15 123.821 0.2 . 1 . . . . . . . . 5902 1 214 . 1 1 29 29 LYS H H 1 9.492 0.02 . 1 . . . . . . . . 5902 1 215 . 1 1 29 29 LYS HA H 1 4.652 0.02 . 1 . . . . . . . . 5902 1 216 . 1 1 29 29 LYS HB2 H 1 2.289 0.02 . 2 . . . . . . . . 5902 1 217 . 1 1 29 29 LYS HB3 H 1 1.068 0.02 . 2 . . . . . . . . 5902 1 218 . 1 1 29 29 LYS HG2 H 1 1.129 0.02 . 1 . . . . . . . . 5902 1 219 . 1 1 29 29 LYS HG3 H 1 1.129 0.02 . 1 . . . . . . . . 5902 1 220 . 1 1 29 29 LYS HD2 H 1 1.465 0.02 . 2 . . . . . . . . 5902 1 221 . 1 1 29 29 LYS HD3 H 1 -0.007 0.02 . 2 . . . . . . . . 5902 1 222 . 1 1 29 29 LYS HE2 H 1 2.742 0.02 . 2 . . . . . . . . 5902 1 223 . 1 1 29 29 LYS HE3 H 1 3.044 0.02 . 2 . . . . . . . . 5902 1 224 . 1 1 29 29 LYS C C 13 172.547 0.2 . 1 . . . . . . . . 5902 1 225 . 1 1 29 29 LYS CA C 13 53.764 0.2 . 1 . . . . . . . . 5902 1 226 . 1 1 29 29 LYS CB C 13 34.744 0.2 . 1 . . . . . . . . 5902 1 227 . 1 1 29 29 LYS CG C 13 24.576 0.2 . 1 . . . . . . . . 5902 1 228 . 1 1 29 29 LYS CD C 13 27.741 0.2 . 1 . . . . . . . . 5902 1 229 . 1 1 29 29 LYS CE C 13 43.210 0.2 . 1 . . . . . . . . 5902 1 230 . 1 1 29 29 LYS N N 15 127.217 0.2 . 1 . . . . . . . . 5902 1 231 . 1 1 30 30 MET H H 1 8.704 0.02 . 1 . . . . . . . . 5902 1 232 . 1 1 30 30 MET HA H 1 4.693 0.02 . 1 . . . . . . . . 5902 1 233 . 1 1 30 30 MET HB2 H 1 1.751 0.02 . 2 . . . . . . . . 5902 1 234 . 1 1 30 30 MET HB3 H 1 1.916 0.02 . 2 . . . . . . . . 5902 1 235 . 1 1 30 30 MET HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5902 1 236 . 1 1 30 30 MET HG3 H 1 2.295 0.02 . 2 . . . . . . . . 5902 1 237 . 1 1 30 30 MET C C 13 175.625 0.2 . 1 . . . . . . . . 5902 1 238 . 1 1 30 30 MET CA C 13 53.394 0.2 . 1 . . . . . . . . 5902 1 239 . 1 1 30 30 MET CB C 13 35.589 0.2 . 1 . . . . . . . . 5902 1 240 . 1 1 30 30 MET CG C 13 31.541 0.2 . 1 . . . . . . . . 5902 1 241 . 1 1 30 30 MET N N 15 125.113 0.2 . 1 . . . . . . . . 5902 1 242 . 1 1 31 31 LYS H H 1 8.611 0.02 . 1 . . . . . . . . 5902 1 243 . 1 1 31 31 LYS HA H 1 4.090 0.02 . 1 . . . . . . . . 5902 1 244 . 1 1 31 31 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5902 1 245 . 1 1 31 31 LYS HB3 H 1 1.848 0.02 . 2 . . . . . . . . 5902 1 246 . 1 1 31 31 LYS HG2 H 1 1.423 0.02 . 1 . . . . . . . . 5902 1 247 . 1 1 31 31 LYS HG3 H 1 1.423 0.02 . 1 . . . . . . . . 5902 1 248 . 1 1 31 31 LYS HD2 H 1 1.547 0.02 . 1 . . . . . . . . 5902 1 249 . 1 1 31 31 LYS HD3 H 1 1.547 0.02 . 1 . . . . . . . . 5902 1 250 . 1 1 31 31 LYS HE2 H 1 2.919 0.02 . 1 . . . . . . . . 5902 1 251 . 1 1 31 31 LYS HE3 H 1 2.919 0.02 . 1 . . . . . . . . 5902 1 252 . 1 1 31 31 LYS C C 13 177.727 0.2 . 1 . . . . . . . . 5902 1 253 . 1 1 31 31 LYS CA C 13 58.383 0.2 . 1 . . . . . . . . 5902 1 254 . 1 1 31 31 LYS CB C 13 31.784 0.2 . 1 . . . . . . . . 5902 1 255 . 1 1 31 31 LYS CG C 13 24.694 0.2 . 1 . . . . . . . . 5902 1 256 . 1 1 31 31 LYS CD C 13 28.795 0.2 . 1 . . . . . . . . 5902 1 257 . 1 1 31 31 LYS CE C 13 41.988 0.2 . 1 . . . . . . . . 5902 1 258 . 1 1 31 31 LYS N N 15 123.537 0.2 . 1 . . . . . . . . 5902 1 259 . 1 1 32 32 GLY H H 1 9.053 0.02 . 1 . . . . . . . . 5902 1 260 . 1 1 32 32 GLY HA2 H 1 3.667 0.02 . 2 . . . . . . . . 5902 1 261 . 1 1 32 32 GLY HA3 H 1 4.120 0.02 . 2 . . . . . . . . 5902 1 262 . 1 1 32 32 GLY C C 13 173.601 0.2 . 1 . . . . . . . . 5902 1 263 . 1 1 32 32 GLY CA C 13 45.010 0.2 . 1 . . . . . . . . 5902 1 264 . 1 1 32 32 GLY N N 15 113.089 0.2 . 1 . . . . . . . . 5902 1 265 . 1 1 33 33 TYR H H 1 8.109 0.02 . 1 . . . . . . . . 5902 1 266 . 1 1 33 33 TYR HA H 1 4.935 0.02 . 1 . . . . . . . . 5902 1 267 . 1 1 33 33 TYR HB2 H 1 3.197 0.02 . 2 . . . . . . . . 5902 1 268 . 1 1 33 33 TYR HB3 H 1 2.917 0.02 . 2 . . . . . . . . 5902 1 269 . 1 1 33 33 TYR HD1 H 1 6.967 0.02 . 1 . . . . . . . . 5902 1 270 . 1 1 33 33 TYR HD2 H 1 6.967 0.02 . 1 . . . . . . . . 5902 1 271 . 1 1 33 33 TYR HE1 H 1 6.632 0.02 . 1 . . . . . . . . 5902 1 272 . 1 1 33 33 TYR HE2 H 1 6.632 0.02 . 1 . . . . . . . . 5902 1 273 . 1 1 33 33 TYR C C 13 172.697 0.2 . 1 . . . . . . . . 5902 1 274 . 1 1 33 33 TYR CA C 13 55.632 0.2 . 1 . . . . . . . . 5902 1 275 . 1 1 33 33 TYR CB C 13 40.663 0.2 . 1 . . . . . . . . 5902 1 276 . 1 1 33 33 TYR CD1 C 13 131.913 0.2 . 1 . . . . . . . . 5902 1 277 . 1 1 33 33 TYR CD2 C 13 131.913 0.2 . 1 . . . . . . . . 5902 1 278 . 1 1 33 33 TYR CE1 C 13 117.187 0.2 . 1 . . . . . . . . 5902 1 279 . 1 1 33 33 TYR CE2 C 13 117.187 0.2 . 1 . . . . . . . . 5902 1 280 . 1 1 33 33 TYR N N 15 119.527 0.2 . 1 . . . . . . . . 5902 1 281 . 1 1 34 34 PRO HA H 1 4.762 0.02 . 1 . . . . . . . . 5902 1 282 . 1 1 34 34 PRO HB2 H 1 1.988 0.02 . 2 . . . . . . . . 5902 1 283 . 1 1 34 34 PRO HB3 H 1 2.346 0.02 . 2 . . . . . . . . 5902 1 284 . 1 1 34 34 PRO HG2 H 1 2.187 0.02 . 1 . . . . . . . . 5902 1 285 . 1 1 34 34 PRO HG3 H 1 2.187 0.02 . 1 . . . . . . . . 5902 1 286 . 1 1 34 34 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 5902 1 287 . 1 1 34 34 PRO HD3 H 1 4.045 0.02 . 2 . . . . . . . . 5902 1 288 . 1 1 34 34 PRO C C 13 176.761 0.2 . 1 . . . . . . . . 5902 1 289 . 1 1 34 34 PRO CA C 13 61.882 0.2 . 1 . . . . . . . . 5902 1 290 . 1 1 34 34 PRO CB C 13 31.678 0.2 . 1 . . . . . . . . 5902 1 291 . 1 1 34 34 PRO CG C 13 26.879 0.2 . 1 . . . . . . . . 5902 1 292 . 1 1 34 34 PRO CD C 13 49.591 0.2 . 1 . . . . . . . . 5902 1 293 . 1 1 35 35 HIS H H 1 8.165 0.02 . 1 . . . . . . . . 5902 1 294 . 1 1 35 35 HIS HA H 1 3.931 0.02 . 1 . . . . . . . . 5902 1 295 . 1 1 35 35 HIS HB2 H 1 1.984 0.02 . 2 . . . . . . . . 5902 1 296 . 1 1 35 35 HIS HB3 H 1 2.397 0.02 . 2 . . . . . . . . 5902 1 297 . 1 1 35 35 HIS C C 13 175.832 0.2 . 1 . . . . . . . . 5902 1 298 . 1 1 35 35 HIS CA C 13 60.588 0.2 . 1 . . . . . . . . 5902 1 299 . 1 1 35 35 HIS CB C 13 29.987 0.2 . 1 . . . . . . . . 5902 1 300 . 1 1 35 35 HIS N N 15 118.609 0.2 . 1 . . . . . . . . 5902 1 301 . 1 1 36 36 TRP H H 1 9.21 0.02 . 1 . . . . . . . . 5902 1 302 . 1 1 36 36 TRP HA H 1 5.465 0.02 . 1 . . . . . . . . 5902 1 303 . 1 1 36 36 TRP HB2 H 1 3.924 0.02 . 2 . . . . . . . . 5902 1 304 . 1 1 36 36 TRP HB3 H 1 3.565 0.02 . 2 . . . . . . . . 5902 1 305 . 1 1 36 36 TRP HD1 H 1 8.418 0.02 . 1 . . . . . . . . 5902 1 306 . 1 1 36 36 TRP HE1 H 1 10.945 0.02 . 1 . . . . . . . . 5902 1 307 . 1 1 36 36 TRP HE3 H 1 8.144 0.02 . 1 . . . . . . . . 5902 1 308 . 1 1 36 36 TRP HZ2 H 1 7.434 0.02 . 1 . . . . . . . . 5902 1 309 . 1 1 36 36 TRP HZ3 H 1 7.088 0.02 . 1 . . . . . . . . 5902 1 310 . 1 1 36 36 TRP HH2 H 1 8.414 0.02 . 1 . . . . . . . . 5902 1 311 . 1 1 36 36 TRP C C 13 174.593 0.2 . 1 . . . . . . . . 5902 1 312 . 1 1 36 36 TRP CA C 13 55.784 0.2 . 1 . . . . . . . . 5902 1 313 . 1 1 36 36 TRP CB C 13 33.052 0.2 . 1 . . . . . . . . 5902 1 314 . 1 1 36 36 TRP CD1 C 13 128.342 0.2 . 1 . . . . . . . . 5902 1 315 . 1 1 36 36 TRP CE3 C 13 119.848 0.2 . 1 . . . . . . . . 5902 1 316 . 1 1 36 36 TRP CZ2 C 13 113.915 0.2 . 1 . . . . . . . . 5902 1 317 . 1 1 36 36 TRP CZ3 C 13 119.937 0.2 . 1 . . . . . . . . 5902 1 318 . 1 1 36 36 TRP CH2 C 13 129.286 0.2 . 1 . . . . . . . . 5902 1 319 . 1 1 36 36 TRP N N 15 126.600 0.2 . 1 . . . . . . . . 5902 1 320 . 1 1 36 36 TRP NE1 N 15 129.384 0.2 . 1 . . . . . . . . 5902 1 321 . 1 1 37 37 PRO HA H 1 4.07 0.02 . 1 . . . . . . . . 5902 1 322 . 1 1 37 37 PRO HB2 H 1 1.538 0.02 . 2 . . . . . . . . 5902 1 323 . 1 1 37 37 PRO HB3 H 1 1.875 0.02 . 2 . . . . . . . . 5902 1 324 . 1 1 37 37 PRO HG2 H 1 1.191 0.02 . 1 . . . . . . . . 5902 1 325 . 1 1 37 37 PRO HG3 H 1 1.191 0.02 . 1 . . . . . . . . 5902 1 326 . 1 1 37 37 PRO HD2 H 1 2.944 0.02 . 1 . . . . . . . . 5902 1 327 . 1 1 37 37 PRO HD3 H 1 2.944 0.02 . 1 . . . . . . . . 5902 1 328 . 1 1 37 37 PRO C C 13 175.046 0.2 . 1 . . . . . . . . 5902 1 329 . 1 1 37 37 PRO CA C 13 62.703 0.2 . 1 . . . . . . . . 5902 1 330 . 1 1 37 37 PRO CB C 13 32.101 0.2 . 1 . . . . . . . . 5902 1 331 . 1 1 37 37 PRO CG C 13 26.823 0.2 . 1 . . . . . . . . 5902 1 332 . 1 1 37 37 PRO CD C 13 42.038 0.2 . 1 . . . . . . . . 5902 1 333 . 1 1 38 38 ALA H H 1 9.519 0.02 . 1 . . . . . . . . 5902 1 334 . 1 1 38 38 ALA HA H 1 5.039 0.02 . 1 . . . . . . . . 5902 1 335 . 1 1 38 38 ALA HB1 H 1 0.767 0.02 . 1 . . . . . . . . 5902 1 336 . 1 1 38 38 ALA HB2 H 1 0.767 0.02 . 1 . . . . . . . . 5902 1 337 . 1 1 38 38 ALA HB3 H 1 0.767 0.02 . 1 . . . . . . . . 5902 1 338 . 1 1 38 38 ALA C C 13 174.274 0.2 . 1 . . . . . . . . 5902 1 339 . 1 1 38 38 ALA CA C 13 52.37 0.2 . 1 . . . . . . . . 5902 1 340 . 1 1 38 38 ALA CB C 13 23.328 0.2 . 1 . . . . . . . . 5902 1 341 . 1 1 38 38 ALA N N 15 129.757 0.2 . 1 . . . . . . . . 5902 1 342 . 1 1 39 39 ARG H H 1 8.845 0.02 . 1 . . . . . . . . 5902 1 343 . 1 1 39 39 ARG HA H 1 5.343 0.02 . 1 . . . . . . . . 5902 1 344 . 1 1 39 39 ARG HB2 H 1 1.56 0.02 . 2 . . . . . . . . 5902 1 345 . 1 1 39 39 ARG HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5902 1 346 . 1 1 39 39 ARG HG2 H 1 1.361 0.02 . 1 . . . . . . . . 5902 1 347 . 1 1 39 39 ARG HG3 H 1 1.361 0.02 . 1 . . . . . . . . 5902 1 348 . 1 1 39 39 ARG C C 13 174.677 0.2 . 1 . . . . . . . . 5902 1 349 . 1 1 39 39 ARG CA C 13 53.348 0.2 . 1 . . . . . . . . 5902 1 350 . 1 1 39 39 ARG CB C 13 35.695 0.2 . 1 . . . . . . . . 5902 1 351 . 1 1 39 39 ARG CG C 13 26.868 0.2 . 1 . . . . . . . . 5902 1 352 . 1 1 39 39 ARG N N 15 118.896 0.2 . 1 . . . . . . . . 5902 1 353 . 1 1 40 40 ILE H H 1 8.595 0.02 . 1 . . . . . . . . 5902 1 354 . 1 1 40 40 ILE HA H 1 4.082 0.02 . 1 . . . . . . . . 5902 1 355 . 1 1 40 40 ILE HB H 1 2.29 0.02 . 1 . . . . . . . . 5902 1 356 . 1 1 40 40 ILE HG12 H 1 1.146 0.02 . 1 . . . . . . . . 5902 1 357 . 1 1 40 40 ILE HG13 H 1 1.146 0.02 . 1 . . . . . . . . 5902 1 358 . 1 1 40 40 ILE HG21 H 1 1.265 0.02 . 1 . . . . . . . . 5902 1 359 . 1 1 40 40 ILE HG22 H 1 1.265 0.02 . 1 . . . . . . . . 5902 1 360 . 1 1 40 40 ILE HG23 H 1 1.265 0.02 . 1 . . . . . . . . 5902 1 361 . 1 1 40 40 ILE HD11 H 1 0.814 0.02 . 1 . . . . . . . . 5902 1 362 . 1 1 40 40 ILE HD12 H 1 0.814 0.02 . 1 . . . . . . . . 5902 1 363 . 1 1 40 40 ILE HD13 H 1 0.814 0.02 . 1 . . . . . . . . 5902 1 364 . 1 1 40 40 ILE C C 13 174.996 0.2 . 1 . . . . . . . . 5902 1 365 . 1 1 40 40 ILE CA C 13 59.768 0.2 . 1 . . . . . . . . 5902 1 366 . 1 1 40 40 ILE CB C 13 35.299 0.2 . 1 . . . . . . . . 5902 1 367 . 1 1 40 40 ILE CG1 C 13 29.030 0.2 . 1 . . . . . . . . 5902 1 368 . 1 1 40 40 ILE CG2 C 13 26.34 0.2 . 1 . . . . . . . . 5902 1 369 . 1 1 40 40 ILE CD1 C 13 18.4 0.2 . 1 . . . . . . . . 5902 1 370 . 1 1 40 40 ILE N N 15 123.258 0.2 . 1 . . . . . . . . 5902 1 371 . 1 1 41 41 ASP H H 1 9.054 0.02 . 1 . . . . . . . . 5902 1 372 . 1 1 41 41 ASP HA H 1 5.245 0.02 . 1 . . . . . . . . 5902 1 373 . 1 1 41 41 ASP HB2 H 1 2.200 0.02 . 2 . . . . . . . . 5902 1 374 . 1 1 41 41 ASP HB3 H 1 2.614 0.02 . 2 . . . . . . . . 5902 1 375 . 1 1 41 41 ASP C C 13 176.207 0.2 . 1 . . . . . . . . 5902 1 376 . 1 1 41 41 ASP CA C 13 54.08 0.2 . 1 . . . . . . . . 5902 1 377 . 1 1 41 41 ASP CB C 13 42.988 0.2 . 1 . . . . . . . . 5902 1 378 . 1 1 41 41 ASP N N 15 131.281 0.2 . 1 . . . . . . . . 5902 1 379 . 1 1 42 42 GLU H H 1 7.956 0.02 . 1 . . . . . . . . 5902 1 380 . 1 1 42 42 GLU HA H 1 4.618 0.02 . 1 . . . . . . . . 5902 1 381 . 1 1 42 42 GLU HB2 H 1 1.974 0.02 . 1 . . . . . . . . 5902 1 382 . 1 1 42 42 GLU HB3 H 1 1.974 0.02 . 1 . . . . . . . . 5902 1 383 . 1 1 42 42 GLU HG2 H 1 2.369 0.02 . 1 . . . . . . . . 5902 1 384 . 1 1 42 42 GLU HG3 H 1 2.369 0.02 . 1 . . . . . . . . 5902 1 385 . 1 1 42 42 GLU C C 13 175.255 0.2 . 1 . . . . . . . . 5902 1 386 . 1 1 42 42 GLU CA C 13 56.009 0.2 . 1 . . . . . . . . 5902 1 387 . 1 1 42 42 GLU CB C 13 32.418 0.2 . 1 . . . . . . . . 5902 1 388 . 1 1 42 42 GLU CG C 13 35.486 0.2 . 1 . . . . . . . . 5902 1 389 . 1 1 42 42 GLU N N 15 116.457 0.2 . 1 . . . . . . . . 5902 1 390 . 1 1 43 43 MET H H 1 8.821 0.02 . 1 . . . . . . . . 5902 1 391 . 1 1 43 43 MET HA H 1 4.841 0.02 . 1 . . . . . . . . 5902 1 392 . 1 1 43 43 MET HB2 H 1 2.621 0.02 . 2 . . . . . . . . 5902 1 393 . 1 1 43 43 MET HB3 H 1 2.744 0.02 . 2 . . . . . . . . 5902 1 394 . 1 1 43 43 MET HG2 H 1 1.938 0.02 . 2 . . . . . . . . 5902 1 395 . 1 1 43 43 MET HG3 H 1 2.153 0.02 . 2 . . . . . . . . 5902 1 396 . 1 1 43 43 MET C C 13 174.084 0.2 . 1 . . . . . . . . 5902 1 397 . 1 1 43 43 MET CA C 13 52.878 0.2 . 1 . . . . . . . . 5902 1 398 . 1 1 43 43 MET CB C 13 31.89 0.2 . 1 . . . . . . . . 5902 1 399 . 1 1 43 43 MET CG C 13 32.311 0.2 . 1 . . . . . . . . 5902 1 400 . 1 1 43 43 MET N N 15 122.243 0.2 . 1 . . . . . . . . 5902 1 401 . 1 1 44 44 PRO HA H 1 4.457 0.02 . 1 . . . . . . . . 5902 1 402 . 1 1 44 44 PRO HB2 H 1 1.787 0.02 . 2 . . . . . . . . 5902 1 403 . 1 1 44 44 PRO HB3 H 1 2.153 0.02 . 2 . . . . . . . . 5902 1 404 . 1 1 44 44 PRO HG2 H 1 1.392 0.02 . 2 . . . . . . . . 5902 1 405 . 1 1 44 44 PRO HG3 H 1 1.845 0.02 . 2 . . . . . . . . 5902 1 406 . 1 1 44 44 PRO HD2 H 1 3.25 0.02 . 2 . . . . . . . . 5902 1 407 . 1 1 44 44 PRO HD3 H 1 3.456 0.02 . 2 . . . . . . . . 5902 1 408 . 1 1 44 44 PRO C C 13 176.758 0.2 . 1 . . . . . . . . 5902 1 409 . 1 1 44 44 PRO CA C 13 62.895 0.2 . 1 . . . . . . . . 5902 1 410 . 1 1 44 44 PRO CB C 13 32.101 0.2 . 1 . . . . . . . . 5902 1 411 . 1 1 44 44 PRO CG C 13 27.237 0.2 . 1 . . . . . . . . 5902 1 412 . 1 1 44 44 PRO CD C 13 50.593 0.2 . 1 . . . . . . . . 5902 1 413 . 1 1 45 45 GLU H H 1 8.584 0.02 . 1 . . . . . . . . 5902 1 414 . 1 1 45 45 GLU HA H 1 4.225 0.02 . 1 . . . . . . . . 5902 1 415 . 1 1 45 45 GLU HB2 H 1 1.999 0.02 . 1 . . . . . . . . 5902 1 416 . 1 1 45 45 GLU HB3 H 1 1.999 0.02 . 1 . . . . . . . . 5902 1 417 . 1 1 45 45 GLU HG2 H 1 2.296 0.02 . 1 . . . . . . . . 5902 1 418 . 1 1 45 45 GLU HG3 H 1 2.296 0.02 . 1 . . . . . . . . 5902 1 419 . 1 1 45 45 GLU C C 13 176.273 0.2 . 1 . . . . . . . . 5902 1 420 . 1 1 45 45 GLU CA C 13 56.732 0.2 . 1 . . . . . . . . 5902 1 421 . 1 1 45 45 GLU CB C 13 29.881 0.2 . 1 . . . . . . . . 5902 1 422 . 1 1 45 45 GLU CG C 13 36.204 0.2 . 1 . . . . . . . . 5902 1 423 . 1 1 45 45 GLU N N 15 121.769 0.2 . 1 . . . . . . . . 5902 1 424 . 1 1 46 46 ALA H H 1 8.324 0.02 . 1 . . . . . . . . 5902 1 425 . 1 1 46 46 ALA HA H 1 4.228 0.02 . 1 . . . . . . . . 5902 1 426 . 1 1 46 46 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 427 . 1 1 46 46 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 428 . 1 1 46 46 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 429 . 1 1 46 46 ALA C C 13 177.568 0.2 . 1 . . . . . . . . 5902 1 430 . 1 1 46 46 ALA CA C 13 52.881 0.2 . 1 . . . . . . . . 5902 1 431 . 1 1 46 46 ALA CB C 13 18.994 0.2 . 1 . . . . . . . . 5902 1 432 . 1 1 46 46 ALA N N 15 123.879 0.2 . 1 . . . . . . . . 5902 1 433 . 1 1 47 47 ALA H H 1 8.136 0.02 . 1 . . . . . . . . 5902 1 434 . 1 1 47 47 ALA HA H 1 4.248 0.02 . 1 . . . . . . . . 5902 1 435 . 1 1 47 47 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 436 . 1 1 47 47 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 437 . 1 1 47 47 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5902 1 438 . 1 1 47 47 ALA C C 13 177.65 0.2 . 1 . . . . . . . . 5902 1 439 . 1 1 47 47 ALA CA C 13 52.830 0.2 . 1 . . . . . . . . 5902 1 440 . 1 1 47 47 ALA CB C 13 19.206 0.2 . 1 . . . . . . . . 5902 1 441 . 1 1 47 47 ALA N N 15 120.239 0.2 . 1 . . . . . . . . 5902 1 442 . 1 1 48 48 VAL H H 1 7.727 0.02 . 1 . . . . . . . . 5902 1 443 . 1 1 48 48 VAL HA H 1 4.090 0.02 . 1 . . . . . . . . 5902 1 444 . 1 1 48 48 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5902 1 445 . 1 1 48 48 VAL HG11 H 1 0.932 0.02 . 1 . . . . . . . . 5902 1 446 . 1 1 48 48 VAL HG12 H 1 0.932 0.02 . 1 . . . . . . . . 5902 1 447 . 1 1 48 48 VAL HG13 H 1 0.932 0.02 . 1 . . . . . . . . 5902 1 448 . 1 1 48 48 VAL C C 13 176.226 0.2 . 1 . . . . . . . . 5902 1 449 . 1 1 48 48 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 5902 1 450 . 1 1 48 48 VAL CB C 13 32.207 0.2 . 1 . . . . . . . . 5902 1 451 . 1 1 48 48 VAL CG1 C 13 20.87 0.2 . 1 . . . . . . . . 5902 1 452 . 1 1 48 48 VAL N N 15 116.981 0.2 . 1 . . . . . . . . 5902 1 453 . 1 1 49 49 LYS H H 1 8.263 0.02 . 1 . . . . . . . . 5902 1 454 . 1 1 49 49 LYS HA H 1 4.253 0.02 . 1 . . . . . . . . 5902 1 455 . 1 1 49 49 LYS HB2 H 1 1.871 0.02 . 2 . . . . . . . . 5902 1 456 . 1 1 49 49 LYS HB3 H 1 1.824 0.02 . 2 . . . . . . . . 5902 1 457 . 1 1 49 49 LYS HG2 H 1 1.472 0.02 . 2 . . . . . . . . 5902 1 458 . 1 1 49 49 LYS HG3 H 1 1.425 0.02 . 2 . . . . . . . . 5902 1 459 . 1 1 49 49 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5902 1 460 . 1 1 49 49 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5902 1 461 . 1 1 49 49 LYS HE2 H 1 2.999 0.02 . 2 . . . . . . . . 5902 1 462 . 1 1 49 49 LYS HE3 H 1 3.041 0.02 . 2 . . . . . . . . 5902 1 463 . 1 1 49 49 LYS C C 13 177.016 0.2 . 1 . . . . . . . . 5902 1 464 . 1 1 49 49 LYS CA C 13 57.184 0.2 . 1 . . . . . . . . 5902 1 465 . 1 1 49 49 LYS CB C 13 32.418 0.2 . 1 . . . . . . . . 5902 1 466 . 1 1 49 49 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 5902 1 467 . 1 1 49 49 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 5902 1 468 . 1 1 49 49 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 469 . 1 1 49 49 LYS N N 15 122.301 0.2 . 1 . . . . . . . . 5902 1 470 . 1 1 50 50 SER H H 1 8.19 0.02 . 1 . . . . . . . . 5902 1 471 . 1 1 50 50 SER HA H 1 4.445 0.02 . 1 . . . . . . . . 5902 1 472 . 1 1 50 50 SER HB2 H 1 3.913 0.02 . 1 . . . . . . . . 5902 1 473 . 1 1 50 50 SER HB3 H 1 3.913 0.02 . 1 . . . . . . . . 5902 1 474 . 1 1 50 50 SER C C 13 175.025 0.2 . 1 . . . . . . . . 5902 1 475 . 1 1 50 50 SER CA C 13 58.891 0.2 . 1 . . . . . . . . 5902 1 476 . 1 1 50 50 SER CB C 13 63.283 0.2 . 1 . . . . . . . . 5902 1 477 . 1 1 50 50 SER N N 15 114.172 0.2 . 1 . . . . . . . . 5902 1 478 . 1 1 51 51 THR H H 1 7.876 0.02 . 1 . . . . . . . . 5902 1 479 . 1 1 51 51 THR HA H 1 4.288 0.02 . 1 . . . . . . . . 5902 1 480 . 1 1 51 51 THR HB H 1 4.258 0.02 . 1 . . . . . . . . 5902 1 481 . 1 1 51 51 THR HG21 H 1 1.020 0.02 . 1 . . . . . . . . 5902 1 482 . 1 1 51 51 THR HG22 H 1 1.020 0.02 . 1 . . . . . . . . 5902 1 483 . 1 1 51 51 THR HG23 H 1 1.020 0.02 . 1 . . . . . . . . 5902 1 484 . 1 1 51 51 THR C C 13 173.925 0.2 . 1 . . . . . . . . 5902 1 485 . 1 1 51 51 THR CA C 13 61.675 0.2 . 1 . . . . . . . . 5902 1 486 . 1 1 51 51 THR CB C 13 68.779 0.2 . 1 . . . . . . . . 5902 1 487 . 1 1 51 51 THR CG2 C 13 21.319 0.2 . 1 . . . . . . . . 5902 1 488 . 1 1 51 51 THR N N 15 113.047 0.2 . 1 . . . . . . . . 5902 1 489 . 1 1 52 52 ALA H H 1 7.939 0.02 . 1 . . . . . . . . 5902 1 490 . 1 1 52 52 ALA HA H 1 4.297 0.02 . 1 . . . . . . . . 5902 1 491 . 1 1 52 52 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5902 1 492 . 1 1 52 52 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5902 1 493 . 1 1 52 52 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5902 1 494 . 1 1 52 52 ALA C C 13 177.023 0.2 . 1 . . . . . . . . 5902 1 495 . 1 1 52 52 ALA CA C 13 52.636 0.2 . 1 . . . . . . . . 5902 1 496 . 1 1 52 52 ALA CB C 13 18.994 0.2 . 1 . . . . . . . . 5902 1 497 . 1 1 52 52 ALA N N 15 124.197 0.2 . 1 . . . . . . . . 5902 1 498 . 1 1 53 53 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 5902 1 499 . 1 1 53 53 ASN HA H 1 4.514 0.02 . 1 . . . . . . . . 5902 1 500 . 1 1 53 53 ASN HB2 H 1 2.837 0.02 . 1 . . . . . . . . 5902 1 501 . 1 1 53 53 ASN HB3 H 1 2.837 0.02 . 1 . . . . . . . . 5902 1 502 . 1 1 53 53 ASN HD21 H 1 6.969 0.02 . 2 . . . . . . . . 5902 1 503 . 1 1 53 53 ASN HD22 H 1 7.562 0.02 . 2 . . . . . . . . 5902 1 504 . 1 1 53 53 ASN C C 13 173.914 0.2 . 1 . . . . . . . . 5902 1 505 . 1 1 53 53 ASN CA C 13 53.081 0.2 . 1 . . . . . . . . 5902 1 506 . 1 1 53 53 ASN CB C 13 38.232 0.2 . 1 . . . . . . . . 5902 1 507 . 1 1 53 53 ASN N N 15 116.156 0.2 . 1 . . . . . . . . 5902 1 508 . 1 1 53 53 ASN ND2 N 15 111.863 0.2 . 1 . . . . . . . . 5902 1 509 . 1 1 54 54 LYS H H 1 7.688 0.02 . 1 . . . . . . . . 5902 1 510 . 1 1 54 54 LYS HA H 1 4.535 0.02 . 1 . . . . . . . . 5902 1 511 . 1 1 54 54 LYS HB2 H 1 1.647 0.02 . 1 . . . . . . . . 5902 1 512 . 1 1 54 54 LYS HB3 H 1 1.647 0.02 . 1 . . . . . . . . 5902 1 513 . 1 1 54 54 LYS HG2 H 1 1.2 0.02 . 2 . . . . . . . . 5902 1 514 . 1 1 54 54 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 5902 1 515 . 1 1 54 54 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 5902 1 516 . 1 1 54 54 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 5902 1 517 . 1 1 54 54 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5902 1 518 . 1 1 54 54 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5902 1 519 . 1 1 54 54 LYS C C 13 174.76 0.2 . 1 . . . . . . . . 5902 1 520 . 1 1 54 54 LYS CA C 13 55.142 0.2 . 1 . . . . . . . . 5902 1 521 . 1 1 54 54 LYS CB C 13 35.589 0.2 . 1 . . . . . . . . 5902 1 522 . 1 1 54 54 LYS CG C 13 25.265 0.2 . 1 . . . . . . . . 5902 1 523 . 1 1 54 54 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 5902 1 524 . 1 1 54 54 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 525 . 1 1 54 54 LYS N N 15 117.086 0.2 . 1 . . . . . . . . 5902 1 526 . 1 1 55 55 TYR H H 1 8.934 0.02 . 1 . . . . . . . . 5902 1 527 . 1 1 55 55 TYR HA H 1 4.467 0.02 . 1 . . . . . . . . 5902 1 528 . 1 1 55 55 TYR HB2 H 1 2.845 0.02 . 2 . . . . . . . . 5902 1 529 . 1 1 55 55 TYR HB3 H 1 2.674 0.02 . 2 . . . . . . . . 5902 1 530 . 1 1 55 55 TYR HD1 H 1 7.194 0.02 . 1 . . . . . . . . 5902 1 531 . 1 1 55 55 TYR HD2 H 1 7.194 0.02 . 1 . . . . . . . . 5902 1 532 . 1 1 55 55 TYR HE1 H 1 6.926 0.02 . 1 . . . . . . . . 5902 1 533 . 1 1 55 55 TYR HE2 H 1 6.926 0.02 . 1 . . . . . . . . 5902 1 534 . 1 1 55 55 TYR C C 13 174.862 0.2 . 1 . . . . . . . . 5902 1 535 . 1 1 55 55 TYR CA C 13 57.393 0.2 . 1 . . . . . . . . 5902 1 536 . 1 1 55 55 TYR CB C 13 39.817 0.2 . 1 . . . . . . . . 5902 1 537 . 1 1 55 55 TYR CD1 C 13 132.872 0.2 . 1 . . . . . . . . 5902 1 538 . 1 1 55 55 TYR CD2 C 13 132.872 0.2 . 1 . . . . . . . . 5902 1 539 . 1 1 55 55 TYR CE1 C 13 117.386 0.2 . 1 . . . . . . . . 5902 1 540 . 1 1 55 55 TYR CE2 C 13 117.386 0.2 . 1 . . . . . . . . 5902 1 541 . 1 1 55 55 TYR N N 15 119.243 0.2 . 1 . . . . . . . . 5902 1 542 . 1 1 56 56 GLN H H 1 8.623 0.02 . 1 . . . . . . . . 5902 1 543 . 1 1 56 56 GLN HA H 1 4.196 0.02 . 1 . . . . . . . . 5902 1 544 . 1 1 56 56 GLN HB2 H 1 1.896 0.02 . 1 . . . . . . . . 5902 1 545 . 1 1 56 56 GLN HB3 H 1 1.896 0.02 . 1 . . . . . . . . 5902 1 546 . 1 1 56 56 GLN HG2 H 1 1.541 0.02 . 2 . . . . . . . . 5902 1 547 . 1 1 56 56 GLN HG3 H 1 1.814 0.02 . 2 . . . . . . . . 5902 1 548 . 1 1 56 56 GLN HE21 H 1 7.614 0.02 . 2 . . . . . . . . 5902 1 549 . 1 1 56 56 GLN HE22 H 1 6.681 0.02 . 2 . . . . . . . . 5902 1 550 . 1 1 56 56 GLN C C 13 174.247 0.2 . 1 . . . . . . . . 5902 1 551 . 1 1 56 56 GLN CA C 13 55.949 0.2 . 1 . . . . . . . . 5902 1 552 . 1 1 56 56 GLN CB C 13 29.776 0.2 . 1 . . . . . . . . 5902 1 553 . 1 1 56 56 GLN CG C 13 34.231 0.2 . 1 . . . . . . . . 5902 1 554 . 1 1 56 56 GLN N N 15 122.009 0.2 . 1 . . . . . . . . 5902 1 555 . 1 1 56 56 GLN NE2 N 15 111.517 0.2 . 1 . . . . . . . . 5902 1 556 . 1 1 57 57 VAL H H 1 9.095 0.02 . 1 . . . . . . . . 5902 1 557 . 1 1 57 57 VAL HA H 1 4.571 0.02 . 1 . . . . . . . . 5902 1 558 . 1 1 57 57 VAL HB H 1 1.694 0.02 . 1 . . . . . . . . 5902 1 559 . 1 1 57 57 VAL HG11 H 1 0.66 0.02 . 2 . . . . . . . . 5902 1 560 . 1 1 57 57 VAL HG12 H 1 0.66 0.02 . 2 . . . . . . . . 5902 1 561 . 1 1 57 57 VAL HG13 H 1 0.66 0.02 . 2 . . . . . . . . 5902 1 562 . 1 1 57 57 VAL HG21 H 1 0.211 0.02 . 2 . . . . . . . . 5902 1 563 . 1 1 57 57 VAL HG22 H 1 0.211 0.02 . 2 . . . . . . . . 5902 1 564 . 1 1 57 57 VAL HG23 H 1 0.211 0.02 . 2 . . . . . . . . 5902 1 565 . 1 1 57 57 VAL C C 13 172.548 0.2 . 1 . . . . . . . . 5902 1 566 . 1 1 57 57 VAL CA C 13 60.901 0.2 . 1 . . . . . . . . 5902 1 567 . 1 1 57 57 VAL CB C 13 33.475 0.2 . 1 . . . . . . . . 5902 1 568 . 1 1 57 57 VAL CG1 C 13 22.35 0.2 . 2 . . . . . . . . 5902 1 569 . 1 1 57 57 VAL CG2 C 13 22.936 0.2 . 2 . . . . . . . . 5902 1 570 . 1 1 57 57 VAL N N 15 128.146 0.2 . 1 . . . . . . . . 5902 1 571 . 1 1 58 58 PHE H H 1 9.075 0.02 . 1 . . . . . . . . 5902 1 572 . 1 1 58 58 PHE HA H 1 4.732 0.02 . 1 . . . . . . . . 5902 1 573 . 1 1 58 58 PHE HB2 H 1 2.959 0.02 . 2 . . . . . . . . 5902 1 574 . 1 1 58 58 PHE HB3 H 1 2.427 0.02 . 2 . . . . . . . . 5902 1 575 . 1 1 58 58 PHE HD1 H 1 6.366 0.02 . 1 . . . . . . . . 5902 1 576 . 1 1 58 58 PHE HD2 H 1 6.366 0.02 . 1 . . . . . . . . 5902 1 577 . 1 1 58 58 PHE HE1 H 1 6.856 0.02 . 1 . . . . . . . . 5902 1 578 . 1 1 58 58 PHE HE2 H 1 6.856 0.02 . 1 . . . . . . . . 5902 1 579 . 1 1 58 58 PHE HZ H 1 6.437 0.02 . 1 . . . . . . . . 5902 1 580 . 1 1 58 58 PHE C C 13 173.684 0.2 . 1 . . . . . . . . 5902 1 581 . 1 1 58 58 PHE CA C 13 55.789 0.2 . 1 . . . . . . . . 5902 1 582 . 1 1 58 58 PHE CB C 13 41.297 0.2 . 1 . . . . . . . . 5902 1 583 . 1 1 58 58 PHE CD1 C 13 131.226 0.2 . 1 . . . . . . . . 5902 1 584 . 1 1 58 58 PHE CD2 C 13 131.226 0.2 . 1 . . . . . . . . 5902 1 585 . 1 1 58 58 PHE CE1 C 13 129.277 0.2 . 1 . . . . . . . . 5902 1 586 . 1 1 58 58 PHE CE2 C 13 129.277 0.2 . 1 . . . . . . . . 5902 1 587 . 1 1 58 58 PHE CZ C 13 126.446 0.2 . 1 . . . . . . . . 5902 1 588 . 1 1 58 58 PHE N N 15 126.952 0.2 . 1 . . . . . . . . 5902 1 589 . 1 1 59 59 PHE H H 1 8.712 0.02 . 1 . . . . . . . . 5902 1 590 . 1 1 59 59 PHE HA H 1 4.307 0.02 . 1 . . . . . . . . 5902 1 591 . 1 1 59 59 PHE HB2 H 1 2.474 0.02 . 1 . . . . . . . . 5902 1 592 . 1 1 59 59 PHE HB3 H 1 2.474 0.02 . 1 . . . . . . . . 5902 1 593 . 1 1 59 59 PHE HD1 H 1 6.840 0.02 . 1 . . . . . . . . 5902 1 594 . 1 1 59 59 PHE HD2 H 1 6.840 0.02 . 1 . . . . . . . . 5902 1 595 . 1 1 59 59 PHE HE1 H 1 6.859 0.02 . 1 . . . . . . . . 5902 1 596 . 1 1 59 59 PHE HE2 H 1 6.859 0.02 . 1 . . . . . . . . 5902 1 597 . 1 1 59 59 PHE HZ H 1 6.742 0.02 . 1 . . . . . . . . 5902 1 598 . 1 1 59 59 PHE C C 13 175.451 0.2 . 1 . . . . . . . . 5902 1 599 . 1 1 59 59 PHE CA C 13 57.024 0.2 . 1 . . . . . . . . 5902 1 600 . 1 1 59 59 PHE CB C 13 38.549 0.2 . 1 . . . . . . . . 5902 1 601 . 1 1 59 59 PHE CD1 C 13 129.7 0.2 . 1 . . . . . . . . 5902 1 602 . 1 1 59 59 PHE CD2 C 13 129.7 0.2 . 1 . . . . . . . . 5902 1 603 . 1 1 59 59 PHE CE1 C 13 129.7 0.2 . 1 . . . . . . . . 5902 1 604 . 1 1 59 59 PHE CE2 C 13 129.7 0.2 . 1 . . . . . . . . 5902 1 605 . 1 1 59 59 PHE CZ C 13 127.4 0.2 . 1 . . . . . . . . 5902 1 606 . 1 1 59 59 PHE N N 15 125.687 0.2 . 1 . . . . . . . . 5902 1 607 . 1 1 60 60 PHE H H 1 8.597 0.02 . 1 . . . . . . . . 5902 1 608 . 1 1 60 60 PHE HA H 1 4.434 0.02 . 1 . . . . . . . . 5902 1 609 . 1 1 60 60 PHE HB2 H 1 2.565 0.02 . 1 . . . . . . . . 5902 1 610 . 1 1 60 60 PHE HB3 H 1 2.565 0.02 . 1 . . . . . . . . 5902 1 611 . 1 1 60 60 PHE C C 13 177.327 0.2 . 1 . . . . . . . . 5902 1 612 . 1 1 60 60 PHE CA C 13 60.083 0.2 . 1 . . . . . . . . 5902 1 613 . 1 1 60 60 PHE CB C 13 39.817 0.2 . 1 . . . . . . . . 5902 1 614 . 1 1 60 60 PHE N N 15 121.684 0.2 . 1 . . . . . . . . 5902 1 615 . 1 1 61 61 GLY H H 1 10.347 0.02 . 1 . . . . . . . . 5902 1 616 . 1 1 61 61 GLY HA2 H 1 3.071 0.02 . 2 . . . . . . . . 5902 1 617 . 1 1 61 61 GLY HA3 H 1 5.167 0.02 . 2 . . . . . . . . 5902 1 618 . 1 1 61 61 GLY C C 13 175.344 0.2 . 1 . . . . . . . . 5902 1 619 . 1 1 61 61 GLY CA C 13 46.635 0.2 . 1 . . . . . . . . 5902 1 620 . 1 1 61 61 GLY N N 15 113.399 0.2 . 1 . . . . . . . . 5902 1 621 . 1 1 62 62 THR H H 1 7.966 0.02 . 1 . . . . . . . . 5902 1 622 . 1 1 62 62 THR HA H 1 4.011 0.02 . 1 . . . . . . . . 5902 1 623 . 1 1 62 62 THR HB H 1 4.035 0.02 . 1 . . . . . . . . 5902 1 624 . 1 1 62 62 THR HG21 H 1 1.208 0.02 . 1 . . . . . . . . 5902 1 625 . 1 1 62 62 THR HG22 H 1 1.208 0.02 . 1 . . . . . . . . 5902 1 626 . 1 1 62 62 THR HG23 H 1 1.208 0.02 . 1 . . . . . . . . 5902 1 627 . 1 1 62 62 THR C C 13 175.838 0.2 . 1 . . . . . . . . 5902 1 628 . 1 1 62 62 THR CA C 13 61.97 0.2 . 1 . . . . . . . . 5902 1 629 . 1 1 62 62 THR CB C 13 67.934 0.2 . 1 . . . . . . . . 5902 1 630 . 1 1 62 62 THR CG2 C 13 23.292 0.2 . 1 . . . . . . . . 5902 1 631 . 1 1 62 62 THR N N 15 111.54 0.2 . 1 . . . . . . . . 5902 1 632 . 1 1 63 63 HIS H H 1 7.838 0.02 . 1 . . . . . . . . 5902 1 633 . 1 1 63 63 HIS HA H 1 3.722 0.02 . 1 . . . . . . . . 5902 1 634 . 1 1 63 63 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5902 1 635 . 1 1 63 63 HIS HB3 H 1 3.704 0.02 . 2 . . . . . . . . 5902 1 636 . 1 1 63 63 HIS C C 13 173.583 0.2 . 1 . . . . . . . . 5902 1 637 . 1 1 63 63 HIS CA C 13 54.417 0.2 . 1 . . . . . . . . 5902 1 638 . 1 1 63 63 HIS CB C 13 25.653 0.2 . 1 . . . . . . . . 5902 1 639 . 1 1 63 63 HIS N N 15 113.977 0.2 . 1 . . . . . . . . 5902 1 640 . 1 1 64 64 GLU H H 1 6.786 0.02 . 1 . . . . . . . . 5902 1 641 . 1 1 64 64 GLU HA H 1 4.382 0.02 . 1 . . . . . . . . 5902 1 642 . 1 1 64 64 GLU HB2 H 1 1.402 0.02 . 2 . . . . . . . . 5902 1 643 . 1 1 64 64 GLU HB3 H 1 1.785 0.02 . 2 . . . . . . . . 5902 1 644 . 1 1 64 64 GLU HG2 H 1 1.990 0.02 . 1 . . . . . . . . 5902 1 645 . 1 1 64 64 GLU HG3 H 1 1.990 0.02 . 1 . . . . . . . . 5902 1 646 . 1 1 64 64 GLU C C 13 174.104 0.2 . 1 . . . . . . . . 5902 1 647 . 1 1 64 64 GLU CA C 13 55.178 0.2 . 1 . . . . . . . . 5902 1 648 . 1 1 64 64 GLU CB C 13 31.361 0.2 . 1 . . . . . . . . 5902 1 649 . 1 1 64 64 GLU CG C 13 36.204 0.2 . 1 . . . . . . . . 5902 1 650 . 1 1 64 64 GLU N N 15 117.669 0.2 . 1 . . . . . . . . 5902 1 651 . 1 1 65 65 THR H H 1 8.222 0.02 . 1 . . . . . . . . 5902 1 652 . 1 1 65 65 THR HA H 1 5.633 0.02 . 1 . . . . . . . . 5902 1 653 . 1 1 65 65 THR HB H 1 3.844 0.02 . 1 . . . . . . . . 5902 1 654 . 1 1 65 65 THR HG21 H 1 1.035 0.02 . 1 . . . . . . . . 5902 1 655 . 1 1 65 65 THR HG22 H 1 1.035 0.02 . 1 . . . . . . . . 5902 1 656 . 1 1 65 65 THR HG23 H 1 1.035 0.02 . 1 . . . . . . . . 5902 1 657 . 1 1 65 65 THR C C 13 173.987 0.2 . 1 . . . . . . . . 5902 1 658 . 1 1 65 65 THR CA C 13 60.601 0.2 . 1 . . . . . . . . 5902 1 659 . 1 1 65 65 THR CB C 13 71.739 0.2 . 1 . . . . . . . . 5902 1 660 . 1 1 65 65 THR CG2 C 13 21.857 0.2 . 1 . . . . . . . . 5902 1 661 . 1 1 65 65 THR N N 15 112.457 0.2 . 1 . . . . . . . . 5902 1 662 . 1 1 66 66 ALA H H 1 8.979 0.02 . 1 . . . . . . . . 5902 1 663 . 1 1 66 66 ALA HA H 1 4.524 0.02 . 1 . . . . . . . . 5902 1 664 . 1 1 66 66 ALA HB1 H 1 1.290 0.02 . 1 . . . . . . . . 5902 1 665 . 1 1 66 66 ALA HB2 H 1 1.290 0.02 . 1 . . . . . . . . 5902 1 666 . 1 1 66 66 ALA HB3 H 1 1.290 0.02 . 1 . . . . . . . . 5902 1 667 . 1 1 66 66 ALA C C 13 174.208 0.2 . 1 . . . . . . . . 5902 1 668 . 1 1 66 66 ALA CA C 13 50.793 0.2 . 1 . . . . . . . . 5902 1 669 . 1 1 66 66 ALA CB C 13 23.222 0.2 . 1 . . . . . . . . 5902 1 670 . 1 1 66 66 ALA N N 15 125.094 0.2 . 1 . . . . . . . . 5902 1 671 . 1 1 67 67 PHE H H 1 8.518 0.02 . 1 . . . . . . . . 5902 1 672 . 1 1 67 67 PHE HA H 1 5.771 0.02 . 1 . . . . . . . . 5902 1 673 . 1 1 67 67 PHE HB2 H 1 2.696 0.02 . 2 . . . . . . . . 5902 1 674 . 1 1 67 67 PHE HB3 H 1 2.941 0.02 . 2 . . . . . . . . 5902 1 675 . 1 1 67 67 PHE HD1 H 1 7.116 0.02 . 1 . . . . . . . . 5902 1 676 . 1 1 67 67 PHE HD2 H 1 7.116 0.02 . 1 . . . . . . . . 5902 1 677 . 1 1 67 67 PHE HE1 H 1 7.361 0.02 . 1 . . . . . . . . 5902 1 678 . 1 1 67 67 PHE HE2 H 1 7.361 0.02 . 1 . . . . . . . . 5902 1 679 . 1 1 67 67 PHE HZ H 1 7.253 0.02 . 1 . . . . . . . . 5902 1 680 . 1 1 67 67 PHE C C 13 175.752 0.2 . 1 . . . . . . . . 5902 1 681 . 1 1 67 67 PHE CA C 13 56.574 0.2 . 1 . . . . . . . . 5902 1 682 . 1 1 67 67 PHE CB C 13 39.817 0.2 . 1 . . . . . . . . 5902 1 683 . 1 1 67 67 PHE CD1 C 13 130.747 0.2 . 1 . . . . . . . . 5902 1 684 . 1 1 67 67 PHE CD2 C 13 130.747 0.2 . 1 . . . . . . . . 5902 1 685 . 1 1 67 67 PHE CE1 C 13 130.768 0.2 . 1 . . . . . . . . 5902 1 686 . 1 1 67 67 PHE CE2 C 13 130.768 0.2 . 1 . . . . . . . . 5902 1 687 . 1 1 67 67 PHE CZ C 13 128.383 0.2 . 1 . . . . . . . . 5902 1 688 . 1 1 67 67 PHE N N 15 118.294 0.2 . 1 . . . . . . . . 5902 1 689 . 1 1 68 68 LEU H H 1 8.807 0.02 . 1 . . . . . . . . 5902 1 690 . 1 1 68 68 LEU HA H 1 5 0.02 . 1 . . . . . . . . 5902 1 691 . 1 1 68 68 LEU HB2 H 1 1.499 0.02 . 2 . . . . . . . . 5902 1 692 . 1 1 68 68 LEU HB3 H 1 1.894 0.02 . 2 . . . . . . . . 5902 1 693 . 1 1 68 68 LEU HG H 1 1.610 0.02 . 1 . . . . . . . . 5902 1 694 . 1 1 68 68 LEU HD11 H 1 1.117 0.02 . 2 . . . . . . . . 5902 1 695 . 1 1 68 68 LEU HD12 H 1 1.117 0.02 . 2 . . . . . . . . 5902 1 696 . 1 1 68 68 LEU HD13 H 1 1.117 0.02 . 2 . . . . . . . . 5902 1 697 . 1 1 68 68 LEU HD21 H 1 0.896 0.02 . 2 . . . . . . . . 5902 1 698 . 1 1 68 68 LEU HD22 H 1 0.896 0.02 . 2 . . . . . . . . 5902 1 699 . 1 1 68 68 LEU HD23 H 1 0.896 0.02 . 2 . . . . . . . . 5902 1 700 . 1 1 68 68 LEU C C 13 175.72 0.2 . 1 . . . . . . . . 5902 1 701 . 1 1 68 68 LEU CA C 13 53.655 0.2 . 1 . . . . . . . . 5902 1 702 . 1 1 68 68 LEU CB C 13 47.534 0.2 . 1 . . . . . . . . 5902 1 703 . 1 1 68 68 LEU CG C 13 27.417 0.2 . 1 . . . . . . . . 5902 1 704 . 1 1 68 68 LEU CD1 C 13 24.486 0.2 . 2 . . . . . . . . 5902 1 705 . 1 1 68 68 LEU CD2 C 13 26.819 0.2 . 2 . . . . . . . . 5902 1 706 . 1 1 68 68 LEU N N 15 123.233 0.2 . 1 . . . . . . . . 5902 1 707 . 1 1 69 69 GLY H H 1 9.47 0.02 . 1 . . . . . . . . 5902 1 708 . 1 1 69 69 GLY HA2 H 1 4.082 0.02 . 2 . . . . . . . . 5902 1 709 . 1 1 69 69 GLY HA3 H 1 4.956 0.02 . 2 . . . . . . . . 5902 1 710 . 1 1 69 69 GLY C C 13 172.507 0.2 . 1 . . . . . . . . 5902 1 711 . 1 1 69 69 GLY CA C 13 43.728 0.2 . 1 . . . . . . . . 5902 1 712 . 1 1 69 69 GLY N N 15 108.444 0.2 . 1 . . . . . . . . 5902 1 713 . 1 1 70 70 PRO HA H 1 4.201 0.02 . 1 . . . . . . . . 5902 1 714 . 1 1 70 70 PRO HB2 H 1 2.275 0.02 . 2 . . . . . . . . 5902 1 715 . 1 1 70 70 PRO HB3 H 1 2.605 0.02 . 2 . . . . . . . . 5902 1 716 . 1 1 70 70 PRO HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5902 1 717 . 1 1 70 70 PRO HG3 H 1 2.407 0.02 . 2 . . . . . . . . 5902 1 718 . 1 1 70 70 PRO HD2 H 1 3.799 0.02 . 2 . . . . . . . . 5902 1 719 . 1 1 70 70 PRO HD3 H 1 4.093 0.02 . 2 . . . . . . . . 5902 1 720 . 1 1 70 70 PRO C C 13 178.182 0.2 . 1 . . . . . . . . 5902 1 721 . 1 1 70 70 PRO CA C 13 65.062 0.2 . 1 . . . . . . . . 5902 1 722 . 1 1 70 70 PRO CB C 13 31.89 0.2 . 1 . . . . . . . . 5902 1 723 . 1 1 70 70 PRO CG C 13 27.775 0.2 . 1 . . . . . . . . 5902 1 724 . 1 1 70 70 PRO CD C 13 50.007 0.2 . 1 . . . . . . . . 5902 1 725 . 1 1 71 71 LYS H H 1 8.613 0.02 . 1 . . . . . . . . 5902 1 726 . 1 1 71 71 LYS HA H 1 4.149 0.02 . 1 . . . . . . . . 5902 1 727 . 1 1 71 71 LYS HB2 H 1 1.875 0.02 . 1 . . . . . . . . 5902 1 728 . 1 1 71 71 LYS HB3 H 1 1.875 0.02 . 1 . . . . . . . . 5902 1 729 . 1 1 71 71 LYS HG2 H 1 1.379 0.02 . 1 . . . . . . . . 5902 1 730 . 1 1 71 71 LYS HG3 H 1 1.379 0.02 . 1 . . . . . . . . 5902 1 731 . 1 1 71 71 LYS HD2 H 1 1.462 0.02 . 1 . . . . . . . . 5902 1 732 . 1 1 71 71 LYS HD3 H 1 1.462 0.02 . 1 . . . . . . . . 5902 1 733 . 1 1 71 71 LYS C C 13 176.479 0.2 . 1 . . . . . . . . 5902 1 734 . 1 1 71 71 LYS CA C 13 58.277 0.2 . 1 . . . . . . . . 5902 1 735 . 1 1 71 71 LYS CB C 13 31.256 0.2 . 1 . . . . . . . . 5902 1 736 . 1 1 71 71 LYS CG C 13 19.155 0.2 . 1 . . . . . . . . 5902 1 737 . 1 1 71 71 LYS CD C 13 24.597 0.2 . 1 . . . . . . . . 5902 1 738 . 1 1 71 71 LYS N N 15 116.758 0.2 . 1 . . . . . . . . 5902 1 739 . 1 1 72 72 ASP H H 1 7.74 0.02 . 1 . . . . . . . . 5902 1 740 . 1 1 72 72 ASP HA H 1 5.063 0.02 . 1 . . . . . . . . 5902 1 741 . 1 1 72 72 ASP HB2 H 1 2.632 0.02 . 2 . . . . . . . . 5902 1 742 . 1 1 72 72 ASP HB3 H 1 3.803 0.02 . 2 . . . . . . . . 5902 1 743 . 1 1 72 72 ASP C C 13 173.027 0.2 . 1 . . . . . . . . 5902 1 744 . 1 1 72 72 ASP CA C 13 54.262 0.2 . 1 . . . . . . . . 5902 1 745 . 1 1 72 72 ASP CB C 13 43.517 0.2 . 1 . . . . . . . . 5902 1 746 . 1 1 72 72 ASP N N 15 118.043 0.2 . 1 . . . . . . . . 5902 1 747 . 1 1 73 73 LEU H H 1 6.983 0.02 . 1 . . . . . . . . 5902 1 748 . 1 1 73 73 LEU HA H 1 5.154 0.02 . 1 . . . . . . . . 5902 1 749 . 1 1 73 73 LEU HB2 H 1 1.442 0.02 . 2 . . . . . . . . 5902 1 750 . 1 1 73 73 LEU HB3 H 1 0.553 0.02 . 2 . . . . . . . . 5902 1 751 . 1 1 73 73 LEU HG H 1 1.578 0.02 . 1 . . . . . . . . 5902 1 752 . 1 1 73 73 LEU HD11 H 1 0.557 0.02 . 2 . . . . . . . . 5902 1 753 . 1 1 73 73 LEU HD12 H 1 0.557 0.02 . 2 . . . . . . . . 5902 1 754 . 1 1 73 73 LEU HD13 H 1 0.557 0.02 . 2 . . . . . . . . 5902 1 755 . 1 1 73 73 LEU HD21 H 1 0.038 0.02 . 2 . . . . . . . . 5902 1 756 . 1 1 73 73 LEU HD22 H 1 0.038 0.02 . 2 . . . . . . . . 5902 1 757 . 1 1 73 73 LEU HD23 H 1 0.038 0.02 . 2 . . . . . . . . 5902 1 758 . 1 1 73 73 LEU C C 13 175.048 0.2 . 1 . . . . . . . . 5902 1 759 . 1 1 73 73 LEU CA C 13 53.376 0.2 . 1 . . . . . . . . 5902 1 760 . 1 1 73 73 LEU CB C 13 45.737 0.2 . 1 . . . . . . . . 5902 1 761 . 1 1 73 73 LEU CG C 13 25.397 0.2 . 1 . . . . . . . . 5902 1 762 . 1 1 73 73 LEU CD1 C 13 24.225 0.2 . 2 . . . . . . . . 5902 1 763 . 1 1 73 73 LEU CD2 C 13 25.983 0.2 . 2 . . . . . . . . 5902 1 764 . 1 1 73 73 LEU N N 15 117.738 0.2 . 1 . . . . . . . . 5902 1 765 . 1 1 74 74 PHE H H 1 8.717 0.02 . 1 . . . . . . . . 5902 1 766 . 1 1 74 74 PHE HA H 1 5.089 0.02 . 1 . . . . . . . . 5902 1 767 . 1 1 74 74 PHE HB2 H 1 3.039 0.02 . 2 . . . . . . . . 5902 1 768 . 1 1 74 74 PHE HB3 H 1 3.471 0.02 . 2 . . . . . . . . 5902 1 769 . 1 1 74 74 PHE HD1 H 1 7.429 0.02 . 1 . . . . . . . . 5902 1 770 . 1 1 74 74 PHE HD2 H 1 7.429 0.02 . 1 . . . . . . . . 5902 1 771 . 1 1 74 74 PHE HE1 H 1 7.409 0.02 . 1 . . . . . . . . 5902 1 772 . 1 1 74 74 PHE HE2 H 1 7.409 0.02 . 1 . . . . . . . . 5902 1 773 . 1 1 74 74 PHE HZ H 1 7.554 0.02 . 1 . . . . . . . . 5902 1 774 . 1 1 74 74 PHE C C 13 173.409 0.2 . 1 . . . . . . . . 5902 1 775 . 1 1 74 74 PHE CA C 13 54.693 0.2 . 1 . . . . . . . . 5902 1 776 . 1 1 74 74 PHE CB C 13 41.614 0.2 . 1 . . . . . . . . 5902 1 777 . 1 1 74 74 PHE CD1 C 13 131.195 0.2 . 1 . . . . . . . . 5902 1 778 . 1 1 74 74 PHE CD2 C 13 131.195 0.2 . 1 . . . . . . . . 5902 1 779 . 1 1 74 74 PHE CE1 C 13 130.865 0.2 . 1 . . . . . . . . 5902 1 780 . 1 1 74 74 PHE CE2 C 13 130.865 0.2 . 1 . . . . . . . . 5902 1 781 . 1 1 74 74 PHE CZ C 13 129.055 0.2 . 1 . . . . . . . . 5902 1 782 . 1 1 74 74 PHE N N 15 118.332 0.2 . 1 . . . . . . . . 5902 1 783 . 1 1 75 75 PRO HA H 1 4.708 0.02 . 1 . . . . . . . . 5902 1 784 . 1 1 75 75 PRO HB2 H 1 2.310 0.02 . 2 . . . . . . . . 5902 1 785 . 1 1 75 75 PRO HB3 H 1 2.666 0.02 . 2 . . . . . . . . 5902 1 786 . 1 1 75 75 PRO HG2 H 1 2.293 0.02 . 1 . . . . . . . . 5902 1 787 . 1 1 75 75 PRO HG3 H 1 2.293 0.02 . 1 . . . . . . . . 5902 1 788 . 1 1 75 75 PRO HD2 H 1 3.887 0.02 . 2 . . . . . . . . 5902 1 789 . 1 1 75 75 PRO HD3 H 1 4.277 0.02 . 2 . . . . . . . . 5902 1 790 . 1 1 75 75 PRO C C 13 178.565 0.2 . 1 . . . . . . . . 5902 1 791 . 1 1 75 75 PRO CA C 13 64.216 0.2 . 1 . . . . . . . . 5902 1 792 . 1 1 75 75 PRO CB C 13 32.524 0.2 . 1 . . . . . . . . 5902 1 793 . 1 1 75 75 PRO CG C 13 28.327 0.2 . 1 . . . . . . . . 5902 1 794 . 1 1 75 75 PRO CD C 13 50.476 0.2 . 1 . . . . . . . . 5902 1 795 . 1 1 76 76 TYR H H 1 8.528 0.02 . 1 . . . . . . . . 5902 1 796 . 1 1 76 76 TYR HA H 1 4.313 0.02 . 1 . . . . . . . . 5902 1 797 . 1 1 76 76 TYR HB2 H 1 2.691 0.02 . 2 . . . . . . . . 5902 1 798 . 1 1 76 76 TYR HB3 H 1 2.764 0.02 . 2 . . . . . . . . 5902 1 799 . 1 1 76 76 TYR HD1 H 1 6.648 0.02 . 1 . . . . . . . . 5902 1 800 . 1 1 76 76 TYR HD2 H 1 6.648 0.02 . 1 . . . . . . . . 5902 1 801 . 1 1 76 76 TYR HE1 H 1 6.542 0.02 . 1 . . . . . . . . 5902 1 802 . 1 1 76 76 TYR HE2 H 1 6.542 0.02 . 1 . . . . . . . . 5902 1 803 . 1 1 76 76 TYR C C 13 176.432 0.2 . 1 . . . . . . . . 5902 1 804 . 1 1 76 76 TYR CA C 13 62.321 0.2 . 1 . . . . . . . . 5902 1 805 . 1 1 76 76 TYR CB C 13 39.183 0.2 . 1 . . . . . . . . 5902 1 806 . 1 1 76 76 TYR CD1 C 13 132.961 0.2 . 1 . . . . . . . . 5902 1 807 . 1 1 76 76 TYR CD2 C 13 132.961 0.2 . 1 . . . . . . . . 5902 1 808 . 1 1 76 76 TYR CE1 C 13 116.584 0.2 . 1 . . . . . . . . 5902 1 809 . 1 1 76 76 TYR CE2 C 13 116.584 0.2 . 1 . . . . . . . . 5902 1 810 . 1 1 76 76 TYR N N 15 126.012 0.2 . 1 . . . . . . . . 5902 1 811 . 1 1 77 77 GLU H H 1 9.239 0.02 . 1 . . . . . . . . 5902 1 812 . 1 1 77 77 GLU HA H 1 3.554 0.02 . 1 . . . . . . . . 5902 1 813 . 1 1 77 77 GLU HB2 H 1 2.092 0.02 . 1 . . . . . . . . 5902 1 814 . 1 1 77 77 GLU HB3 H 1 2.092 0.02 . 1 . . . . . . . . 5902 1 815 . 1 1 77 77 GLU HG2 H 1 2.439 0.02 . 1 . . . . . . . . 5902 1 816 . 1 1 77 77 GLU HG3 H 1 2.439 0.02 . 1 . . . . . . . . 5902 1 817 . 1 1 77 77 GLU C C 13 179.322 0.2 . 1 . . . . . . . . 5902 1 818 . 1 1 77 77 GLU CA C 13 60.191 0.2 . 1 . . . . . . . . 5902 1 819 . 1 1 77 77 GLU CB C 13 28.296 0.2 . 1 . . . . . . . . 5902 1 820 . 1 1 77 77 GLU CG C 13 35.845 0.2 . 1 . . . . . . . . 5902 1 821 . 1 1 77 77 GLU N N 15 117.677 0.2 . 1 . . . . . . . . 5902 1 822 . 1 1 78 78 GLU H H 1 8.152 0.02 . 1 . . . . . . . . 5902 1 823 . 1 1 78 78 GLU HA H 1 4.260 0.02 . 1 . . . . . . . . 5902 1 824 . 1 1 78 78 GLU HB2 H 1 2.112 0.02 . 1 . . . . . . . . 5902 1 825 . 1 1 78 78 GLU HB3 H 1 2.112 0.02 . 1 . . . . . . . . 5902 1 826 . 1 1 78 78 GLU HG2 H 1 2.442 0.02 . 2 . . . . . . . . 5902 1 827 . 1 1 78 78 GLU HG3 H 1 2.330 0.02 . 2 . . . . . . . . 5902 1 828 . 1 1 78 78 GLU C C 13 177.394 0.2 . 1 . . . . . . . . 5902 1 829 . 1 1 78 78 GLU CA C 13 57.879 0.2 . 1 . . . . . . . . 5902 1 830 . 1 1 78 78 GLU CB C 13 30.093 0.2 . 1 . . . . . . . . 5902 1 831 . 1 1 78 78 GLU CG C 13 36.741 0.2 . 1 . . . . . . . . 5902 1 832 . 1 1 78 78 GLU N N 15 114.295 0.2 . 1 . . . . . . . . 5902 1 833 . 1 1 79 79 SER H H 1 7.547 0.02 . 1 . . . . . . . . 5902 1 834 . 1 1 79 79 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 5902 1 835 . 1 1 79 79 SER HB2 H 1 3.910 0.02 . 1 . . . . . . . . 5902 1 836 . 1 1 79 79 SER HB3 H 1 3.910 0.02 . 1 . . . . . . . . 5902 1 837 . 1 1 79 79 SER C C 13 174.491 0.2 . 1 . . . . . . . . 5902 1 838 . 1 1 79 79 SER CA C 13 58.289 0.2 . 1 . . . . . . . . 5902 1 839 . 1 1 79 79 SER CB C 13 64.34 0.2 . 1 . . . . . . . . 5902 1 840 . 1 1 79 79 SER N N 15 110.918 0.2 . 1 . . . . . . . . 5902 1 841 . 1 1 80 80 LYS H H 1 7.651 0.02 . 1 . . . . . . . . 5902 1 842 . 1 1 80 80 LYS HA H 1 3.84 0.02 . 1 . . . . . . . . 5902 1 843 . 1 1 80 80 LYS HB2 H 1 1.527 0.02 . 2 . . . . . . . . 5902 1 844 . 1 1 80 80 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5902 1 845 . 1 1 80 80 LYS HG2 H 1 1.208 0.02 . 2 . . . . . . . . 5902 1 846 . 1 1 80 80 LYS HG3 H 1 1.339 0.02 . 2 . . . . . . . . 5902 1 847 . 1 1 80 80 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 5902 1 848 . 1 1 80 80 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 5902 1 849 . 1 1 80 80 LYS HE2 H 1 2.892 0.02 . 1 . . . . . . . . 5902 1 850 . 1 1 80 80 LYS HE3 H 1 2.892 0.02 . 1 . . . . . . . . 5902 1 851 . 1 1 80 80 LYS C C 13 177.88 0.2 . 1 . . . . . . . . 5902 1 852 . 1 1 80 80 LYS CA C 13 60.356 0.2 . 1 . . . . . . . . 5902 1 853 . 1 1 80 80 LYS CB C 13 31.15 0.2 . 1 . . . . . . . . 5902 1 854 . 1 1 80 80 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 5902 1 855 . 1 1 80 80 LYS CD C 13 29.264 0.2 . 1 . . . . . . . . 5902 1 856 . 1 1 80 80 LYS CE C 13 42.038 0.2 . 1 . . . . . . . . 5902 1 857 . 1 1 80 80 LYS N N 15 122.971 0.2 . 1 . . . . . . . . 5902 1 858 . 1 1 81 81 GLU H H 1 8.464 0.02 . 1 . . . . . . . . 5902 1 859 . 1 1 81 81 GLU HA H 1 4.001 0.02 . 1 . . . . . . . . 5902 1 860 . 1 1 81 81 GLU HB2 H 1 1.901 0.02 . 1 . . . . . . . . 5902 1 861 . 1 1 81 81 GLU HB3 H 1 1.901 0.02 . 1 . . . . . . . . 5902 1 862 . 1 1 81 81 GLU HG2 H 1 2.204 0.02 . 2 . . . . . . . . 5902 1 863 . 1 1 81 81 GLU HG3 H 1 2.172 0.02 . 2 . . . . . . . . 5902 1 864 . 1 1 81 81 GLU C C 13 176.81 0.2 . 1 . . . . . . . . 5902 1 865 . 1 1 81 81 GLU CA C 13 58.657 0.2 . 1 . . . . . . . . 5902 1 866 . 1 1 81 81 GLU CB C 13 28.507 0.2 . 1 . . . . . . . . 5902 1 867 . 1 1 81 81 GLU CG C 13 36.204 0.2 . 1 . . . . . . . . 5902 1 868 . 1 1 81 81 GLU N N 15 119.502 0.2 . 1 . . . . . . . . 5902 1 869 . 1 1 82 82 LYS H H 1 7.118 0.02 . 1 . . . . . . . . 5902 1 870 . 1 1 82 82 LYS HA H 1 3.915 0.02 . 1 . . . . . . . . 5902 1 871 . 1 1 82 82 LYS HB2 H 1 1.004 0.02 . 2 . . . . . . . . 5902 1 872 . 1 1 82 82 LYS HB3 H 1 0.789 0.02 . 2 . . . . . . . . 5902 1 873 . 1 1 82 82 LYS HG2 H 1 0.624 0.02 . 2 . . . . . . . . 5902 1 874 . 1 1 82 82 LYS HG3 H 1 0.771 0.02 . 2 . . . . . . . . 5902 1 875 . 1 1 82 82 LYS HD2 H 1 1.137 0.02 . 1 . . . . . . . . 5902 1 876 . 1 1 82 82 LYS HD3 H 1 1.137 0.02 . 1 . . . . . . . . 5902 1 877 . 1 1 82 82 LYS HE2 H 1 2.592 0.02 . 2 . . . . . . . . 5902 1 878 . 1 1 82 82 LYS HE3 H 1 2.664 0.02 . 2 . . . . . . . . 5902 1 879 . 1 1 82 82 LYS C C 13 177.954 0.2 . 1 . . . . . . . . 5902 1 880 . 1 1 82 82 LYS CA C 13 57.688 0.2 . 1 . . . . . . . . 5902 1 881 . 1 1 82 82 LYS CB C 13 32.418 0.2 . 1 . . . . . . . . 5902 1 882 . 1 1 82 82 LYS CG C 13 24.1 0.2 . 1 . . . . . . . . 5902 1 883 . 1 1 82 82 LYS CD C 13 29.151 0.2 . 1 . . . . . . . . 5902 1 884 . 1 1 82 82 LYS CE C 13 41.61 0.2 . 1 . . . . . . . . 5902 1 885 . 1 1 82 82 LYS N N 15 116.097 0.2 . 1 . . . . . . . . 5902 1 886 . 1 1 83 83 PHE H H 1 7.23 0.02 . 1 . . . . . . . . 5902 1 887 . 1 1 83 83 PHE HA H 1 4.831 0.02 . 1 . . . . . . . . 5902 1 888 . 1 1 83 83 PHE HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5902 1 889 . 1 1 83 83 PHE HB3 H 1 0.655 0.02 . 2 . . . . . . . . 5902 1 890 . 1 1 83 83 PHE HD1 H 1 6.448 0.02 . 1 . . . . . . . . 5902 1 891 . 1 1 83 83 PHE HD2 H 1 6.448 0.02 . 1 . . . . . . . . 5902 1 892 . 1 1 83 83 PHE HE1 H 1 6.385 0.02 . 1 . . . . . . . . 5902 1 893 . 1 1 83 83 PHE HE2 H 1 6.385 0.02 . 1 . . . . . . . . 5902 1 894 . 1 1 83 83 PHE HZ H 1 6.184 0.02 . 1 . . . . . . . . 5902 1 895 . 1 1 83 83 PHE C C 13 176.612 0.2 . 1 . . . . . . . . 5902 1 896 . 1 1 83 83 PHE CA C 13 54.861 0.2 . 1 . . . . . . . . 5902 1 897 . 1 1 83 83 PHE CB C 13 37.703 0.2 . 1 . . . . . . . . 5902 1 898 . 1 1 83 83 PHE CD1 C 13 128.553 0.2 . 1 . . . . . . . . 5902 1 899 . 1 1 83 83 PHE CD2 C 13 128.553 0.2 . 1 . . . . . . . . 5902 1 900 . 1 1 83 83 PHE CE1 C 13 128.705 0.2 . 1 . . . . . . . . 5902 1 901 . 1 1 83 83 PHE CE2 C 13 128.705 0.2 . 1 . . . . . . . . 5902 1 902 . 1 1 83 83 PHE CZ C 13 127.531 0.2 . 1 . . . . . . . . 5902 1 903 . 1 1 83 83 PHE N N 15 112.747 0.2 . 1 . . . . . . . . 5902 1 904 . 1 1 84 84 GLY H H 1 8.118 0.02 . 1 . . . . . . . . 5902 1 905 . 1 1 84 84 GLY HA2 H 1 3.866 0.02 . 2 . . . . . . . . 5902 1 906 . 1 1 84 84 GLY HA3 H 1 4.476 0.02 . 2 . . . . . . . . 5902 1 907 . 1 1 84 84 GLY C C 13 173.254 0.2 . 1 . . . . . . . . 5902 1 908 . 1 1 84 84 GLY CA C 13 45.884 0.2 . 1 . . . . . . . . 5902 1 909 . 1 1 84 84 GLY N N 15 109.334 0.2 . 1 . . . . . . . . 5902 1 910 . 1 1 85 85 LYS H H 1 7.228 0.02 . 1 . . . . . . . . 5902 1 911 . 1 1 85 85 LYS HA H 1 4.644 0.02 . 1 . . . . . . . . 5902 1 912 . 1 1 85 85 LYS HB2 H 1 1.736 0.02 . 2 . . . . . . . . 5902 1 913 . 1 1 85 85 LYS HB3 H 1 1.842 0.02 . 2 . . . . . . . . 5902 1 914 . 1 1 85 85 LYS HG2 H 1 1.441 0.02 . 2 . . . . . . . . 5902 1 915 . 1 1 85 85 LYS HG3 H 1 1.386 0.02 . 2 . . . . . . . . 5902 1 916 . 1 1 85 85 LYS HD2 H 1 1.884 0.02 . 2 . . . . . . . . 5902 1 917 . 1 1 85 85 LYS HD3 H 1 1.720 0.02 . 2 . . . . . . . . 5902 1 918 . 1 1 85 85 LYS HE2 H 1 3.040 0.02 . 1 . . . . . . . . 5902 1 919 . 1 1 85 85 LYS HE3 H 1 3.040 0.02 . 1 . . . . . . . . 5902 1 920 . 1 1 85 85 LYS C C 13 173.399 0.2 . 1 . . . . . . . . 5902 1 921 . 1 1 85 85 LYS CA C 13 53.591 0.2 . 1 . . . . . . . . 5902 1 922 . 1 1 85 85 LYS CB C 13 31.995 0.2 . 1 . . . . . . . . 5902 1 923 . 1 1 85 85 LYS CG C 13 24.811 0.2 . 1 . . . . . . . . 5902 1 924 . 1 1 85 85 LYS CD C 13 29.572 0.2 . 1 . . . . . . . . 5902 1 925 . 1 1 85 85 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 926 . 1 1 85 85 LYS N N 15 120.149 0.2 . 1 . . . . . . . . 5902 1 927 . 1 1 86 86 PRO HA H 1 4.371 0.02 . 1 . . . . . . . . 5902 1 928 . 1 1 86 86 PRO HB2 H 1 1.869 0.02 . 2 . . . . . . . . 5902 1 929 . 1 1 86 86 PRO HB3 H 1 2.385 0.02 . 2 . . . . . . . . 5902 1 930 . 1 1 86 86 PRO HG2 H 1 2.053 0.02 . 2 . . . . . . . . 5902 1 931 . 1 1 86 86 PRO HG3 H 1 2.051 0.02 . 2 . . . . . . . . 5902 1 932 . 1 1 86 86 PRO HD2 H 1 3.619 0.02 . 2 . . . . . . . . 5902 1 933 . 1 1 86 86 PRO HD3 H 1 3.920 0.02 . 2 . . . . . . . . 5902 1 934 . 1 1 86 86 PRO C C 13 175.645 0.2 . 1 . . . . . . . . 5902 1 935 . 1 1 86 86 PRO CA C 13 63.76 0.2 . 1 . . . . . . . . 5902 1 936 . 1 1 86 86 PRO CB C 13 32.428 0.2 . 1 . . . . . . . . 5902 1 937 . 1 1 86 86 PRO CG C 13 27.69 0.2 . 1 . . . . . . . . 5902 1 938 . 1 1 86 86 PRO CD C 13 50.242 0.2 . 1 . . . . . . . . 5902 1 939 . 1 1 87 87 ASN H H 1 7.895 0.02 . 1 . . . . . . . . 5902 1 940 . 1 1 87 87 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 5902 1 941 . 1 1 87 87 ASN HB2 H 1 2.365 0.02 . 2 . . . . . . . . 5902 1 942 . 1 1 87 87 ASN HB3 H 1 1.995 0.02 . 2 . . . . . . . . 5902 1 943 . 1 1 87 87 ASN HD21 H 1 4.896 0.02 . 2 . . . . . . . . 5902 1 944 . 1 1 87 87 ASN HD22 H 1 7.200 0.02 . 2 . . . . . . . . 5902 1 945 . 1 1 87 87 ASN C C 13 174.318 0.2 . 1 . . . . . . . . 5902 1 946 . 1 1 87 87 ASN CA C 13 52.750 0.2 . 1 . . . . . . . . 5902 1 947 . 1 1 87 87 ASN CB C 13 40.98 0.2 . 1 . . . . . . . . 5902 1 948 . 1 1 87 87 ASN N N 15 118.110 0.2 . 1 . . . . . . . . 5902 1 949 . 1 1 87 87 ASN ND2 N 15 110.906 0.2 . 1 . . . . . . . . 5902 1 950 . 1 1 88 88 LYS H H 1 8.442 0.02 . 1 . . . . . . . . 5902 1 951 . 1 1 88 88 LYS HA H 1 4.368 0.02 . 1 . . . . . . . . 5902 1 952 . 1 1 88 88 LYS HB2 H 1 1.797 0.02 . 2 . . . . . . . . 5902 1 953 . 1 1 88 88 LYS HB3 H 1 2.060 0.02 . 2 . . . . . . . . 5902 1 954 . 1 1 88 88 LYS HG2 H 1 1.706 0.02 . 1 . . . . . . . . 5902 1 955 . 1 1 88 88 LYS HG3 H 1 1.706 0.02 . 1 . . . . . . . . 5902 1 956 . 1 1 88 88 LYS HD2 H 1 1.457 0.02 . 1 . . . . . . . . 5902 1 957 . 1 1 88 88 LYS HD3 H 1 1.457 0.02 . 1 . . . . . . . . 5902 1 958 . 1 1 88 88 LYS HE2 H 1 3.025 0.02 . 1 . . . . . . . . 5902 1 959 . 1 1 88 88 LYS HE3 H 1 3.025 0.02 . 1 . . . . . . . . 5902 1 960 . 1 1 88 88 LYS C C 13 177.094 0.2 . 1 . . . . . . . . 5902 1 961 . 1 1 88 88 LYS CA C 13 56.488 0.2 . 1 . . . . . . . . 5902 1 962 . 1 1 88 88 LYS CB C 13 32.101 0.2 . 1 . . . . . . . . 5902 1 963 . 1 1 88 88 LYS CG C 13 29.030 0.2 . 1 . . . . . . . . 5902 1 964 . 1 1 88 88 LYS CD C 13 24.727 0.2 . 1 . . . . . . . . 5902 1 965 . 1 1 88 88 LYS CE C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 966 . 1 1 88 88 LYS N N 15 119.291 0.2 . 1 . . . . . . . . 5902 1 967 . 1 1 89 89 ARG H H 1 8.844 0.02 . 1 . . . . . . . . 5902 1 968 . 1 1 89 89 ARG HA H 1 4.326 0.02 . 1 . . . . . . . . 5902 1 969 . 1 1 89 89 ARG HB2 H 1 2.119 0.02 . 1 . . . . . . . . 5902 1 970 . 1 1 89 89 ARG HB3 H 1 2.119 0.02 . 1 . . . . . . . . 5902 1 971 . 1 1 89 89 ARG HG2 H 1 1.835 0.02 . 2 . . . . . . . . 5902 1 972 . 1 1 89 89 ARG HG3 H 1 1.893 0.02 . 2 . . . . . . . . 5902 1 973 . 1 1 89 89 ARG HD2 H 1 3.399 0.02 . 1 . . . . . . . . 5902 1 974 . 1 1 89 89 ARG HD3 H 1 3.399 0.02 . 1 . . . . . . . . 5902 1 975 . 1 1 89 89 ARG C C 13 177.388 0.2 . 1 . . . . . . . . 5902 1 976 . 1 1 89 89 ARG CA C 13 55.649 0.2 . 1 . . . . . . . . 5902 1 977 . 1 1 89 89 ARG CB C 13 29.353 0.2 . 1 . . . . . . . . 5902 1 978 . 1 1 89 89 ARG CG C 13 27.7 0.2 . 1 . . . . . . . . 5902 1 979 . 1 1 89 89 ARG CD C 13 42.155 0.2 . 1 . . . . . . . . 5902 1 980 . 1 1 89 89 ARG N N 15 121.558 0.2 . 1 . . . . . . . . 5902 1 981 . 1 1 90 90 LYS H H 1 8.914 0.02 . 1 . . . . . . . . 5902 1 982 . 1 1 90 90 LYS HA H 1 4.255 0.02 . 1 . . . . . . . . 5902 1 983 . 1 1 90 90 LYS HB2 H 1 1.936 0.02 . 2 . . . . . . . . 5902 1 984 . 1 1 90 90 LYS HB3 H 1 1.993 0.02 . 2 . . . . . . . . 5902 1 985 . 1 1 90 90 LYS HG2 H 1 1.586 0.02 . 2 . . . . . . . . 5902 1 986 . 1 1 90 90 LYS HG3 H 1 1.452 0.02 . 2 . . . . . . . . 5902 1 987 . 1 1 90 90 LYS HD2 H 1 1.740 0.02 . 1 . . . . . . . . 5902 1 988 . 1 1 90 90 LYS HD3 H 1 1.740 0.02 . 1 . . . . . . . . 5902 1 989 . 1 1 90 90 LYS HE2 H 1 3.056 0.02 . 1 . . . . . . . . 5902 1 990 . 1 1 90 90 LYS HE3 H 1 3.056 0.02 . 1 . . . . . . . . 5902 1 991 . 1 1 90 90 LYS C C 13 176.913 0.2 . 1 . . . . . . . . 5902 1 992 . 1 1 90 90 LYS CA C 13 58.651 0.2 . 1 . . . . . . . . 5902 1 993 . 1 1 90 90 LYS CB C 13 31.89 0.2 . 1 . . . . . . . . 5902 1 994 . 1 1 90 90 LYS CG C 13 24.424 0.2 . 1 . . . . . . . . 5902 1 995 . 1 1 90 90 LYS CD C 13 29.011 0.2 . 1 . . . . . . . . 5902 1 996 . 1 1 90 90 LYS CE C 13 42.128 0.2 . 1 . . . . . . . . 5902 1 997 . 1 1 90 90 LYS N N 15 126.946 0.2 . 1 . . . . . . . . 5902 1 998 . 1 1 91 91 GLY H H 1 9.021 0.02 . 1 . . . . . . . . 5902 1 999 . 1 1 91 91 GLY HA2 H 1 4.483 0.02 . 2 . . . . . . . . 5902 1 1000 . 1 1 91 91 GLY HA3 H 1 3.895 0.02 . 2 . . . . . . . . 5902 1 1001 . 1 1 91 91 GLY C C 13 174.977 0.2 . 1 . . . . . . . . 5902 1 1002 . 1 1 91 91 GLY CA C 13 45.607 0.2 . 1 . . . . . . . . 5902 1 1003 . 1 1 91 91 GLY N N 15 113.995 0.2 . 1 . . . . . . . . 5902 1 1004 . 1 1 92 92 PHE H H 1 8.415 0.02 . 1 . . . . . . . . 5902 1 1005 . 1 1 92 92 PHE HA H 1 3.421 0.02 . 1 . . . . . . . . 5902 1 1006 . 1 1 92 92 PHE HB2 H 1 2.509 0.02 . 2 . . . . . . . . 5902 1 1007 . 1 1 92 92 PHE HB3 H 1 3.129 0.02 . 2 . . . . . . . . 5902 1 1008 . 1 1 92 92 PHE HD1 H 1 6.137 0.02 . 1 . . . . . . . . 5902 1 1009 . 1 1 92 92 PHE HD2 H 1 6.137 0.02 . 1 . . . . . . . . 5902 1 1010 . 1 1 92 92 PHE HE1 H 1 7.565 0.02 . 1 . . . . . . . . 5902 1 1011 . 1 1 92 92 PHE HE2 H 1 7.565 0.02 . 1 . . . . . . . . 5902 1 1012 . 1 1 92 92 PHE HZ H 1 7.649 0.02 . 1 . . . . . . . . 5902 1 1013 . 1 1 92 92 PHE C C 13 177.277 0.2 . 1 . . . . . . . . 5902 1 1014 . 1 1 92 92 PHE CA C 13 63.151 0.2 . 1 . . . . . . . . 5902 1 1015 . 1 1 92 92 PHE CB C 13 39.395 0.2 . 1 . . . . . . . . 5902 1 1016 . 1 1 92 92 PHE CD1 C 13 129.849 0.2 . 1 . . . . . . . . 5902 1 1017 . 1 1 92 92 PHE CD2 C 13 129.849 0.2 . 1 . . . . . . . . 5902 1 1018 . 1 1 92 92 PHE CE1 C 13 131.402 0.2 . 1 . . . . . . . . 5902 1 1019 . 1 1 92 92 PHE CE2 C 13 131.402 0.2 . 1 . . . . . . . . 5902 1 1020 . 1 1 92 92 PHE CZ C 13 128.531 0.2 . 1 . . . . . . . . 5902 1 1021 . 1 1 92 92 PHE N N 15 123.871 0.2 . 1 . . . . . . . . 5902 1 1022 . 1 1 93 93 SER H H 1 9.063 0.02 . 1 . . . . . . . . 5902 1 1023 . 1 1 93 93 SER HA H 1 4.028 0.02 . 1 . . . . . . . . 5902 1 1024 . 1 1 93 93 SER HB2 H 1 4.292 0.02 . 1 . . . . . . . . 5902 1 1025 . 1 1 93 93 SER HB3 H 1 4.292 0.02 . 1 . . . . . . . . 5902 1 1026 . 1 1 93 93 SER C C 13 178.077 0.2 . 1 . . . . . . . . 5902 1 1027 . 1 1 93 93 SER CA C 13 62.24 0.2 . 1 . . . . . . . . 5902 1 1028 . 1 1 93 93 SER CB C 13 52.607 0.2 . 1 . . . . . . . . 5902 1 1029 . 1 1 93 93 SER N N 15 114.91 0.2 . 1 . . . . . . . . 5902 1 1030 . 1 1 94 94 GLU H H 1 9.532 0.02 . 1 . . . . . . . . 5902 1 1031 . 1 1 94 94 GLU HA H 1 4.168 0.02 . 1 . . . . . . . . 5902 1 1032 . 1 1 94 94 GLU HB2 H 1 2.268 0.02 . 2 . . . . . . . . 5902 1 1033 . 1 1 94 94 GLU HB3 H 1 2.139 0.02 . 2 . . . . . . . . 5902 1 1034 . 1 1 94 94 GLU HG2 H 1 2.631 0.02 . 1 . . . . . . . . 5902 1 1035 . 1 1 94 94 GLU HG3 H 1 2.631 0.02 . 1 . . . . . . . . 5902 1 1036 . 1 1 94 94 GLU C C 13 178.797 0.2 . 1 . . . . . . . . 5902 1 1037 . 1 1 94 94 GLU CA C 13 60.611 0.2 . 1 . . . . . . . . 5902 1 1038 . 1 1 94 94 GLU CB C 13 28.190 0.2 . 1 . . . . . . . . 5902 1 1039 . 1 1 94 94 GLU CG C 13 37.279 0.2 . 1 . . . . . . . . 5902 1 1040 . 1 1 94 94 GLU N N 15 123.857 0.2 . 1 . . . . . . . . 5902 1 1041 . 1 1 95 95 GLY H H 1 8.528 0.02 . 1 . . . . . . . . 5902 1 1042 . 1 1 95 95 GLY HA2 H 1 3.37 0.02 . 2 . . . . . . . . 5902 1 1043 . 1 1 95 95 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5902 1 1044 . 1 1 95 95 GLY C C 13 174.804 0.2 . 1 . . . . . . . . 5902 1 1045 . 1 1 95 95 GLY CA C 13 46.301 0.2 . 1 . . . . . . . . 5902 1 1046 . 1 1 95 95 GLY N N 15 110.299 0.2 . 1 . . . . . . . . 5902 1 1047 . 1 1 96 96 LEU H H 1 8.327 0.02 . 1 . . . . . . . . 5902 1 1048 . 1 1 96 96 LEU HA H 1 3.918 0.02 . 1 . . . . . . . . 5902 1 1049 . 1 1 96 96 LEU HB2 H 1 1.865 0.02 . 2 . . . . . . . . 5902 1 1050 . 1 1 96 96 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5902 1 1051 . 1 1 96 96 LEU HG H 1 1.316 0.02 . 1 . . . . . . . . 5902 1 1052 . 1 1 96 96 LEU HD11 H 1 0.913 0.02 . 2 . . . . . . . . 5902 1 1053 . 1 1 96 96 LEU HD12 H 1 0.913 0.02 . 2 . . . . . . . . 5902 1 1054 . 1 1 96 96 LEU HD13 H 1 0.913 0.02 . 2 . . . . . . . . 5902 1 1055 . 1 1 96 96 LEU HD21 H 1 0.801 0.02 . 2 . . . . . . . . 5902 1 1056 . 1 1 96 96 LEU HD22 H 1 0.801 0.02 . 2 . . . . . . . . 5902 1 1057 . 1 1 96 96 LEU HD23 H 1 0.801 0.02 . 2 . . . . . . . . 5902 1 1058 . 1 1 96 96 LEU C C 13 179.292 0.2 . 1 . . . . . . . . 5902 1 1059 . 1 1 96 96 LEU CA C 13 56.465 0.2 . 1 . . . . . . . . 5902 1 1060 . 1 1 96 96 LEU CB C 13 41.086 0.2 . 1 . . . . . . . . 5902 1 1061 . 1 1 96 96 LEU CG C 13 25.983 0.2 . 1 . . . . . . . . 5902 1 1062 . 1 1 96 96 LEU CD1 C 13 26.217 0.2 . 1 . . . . . . . . 5902 1 1063 . 1 1 96 96 LEU CD2 C 13 21.295 0.2 . 1 . . . . . . . . 5902 1 1064 . 1 1 96 96 LEU N N 15 120.727 0.2 . 1 . . . . . . . . 5902 1 1065 . 1 1 97 97 TRP H H 1 7.932 0.02 . 1 . . . . . . . . 5902 1 1066 . 1 1 97 97 TRP HA H 1 4.078 0.02 . 1 . . . . . . . . 5902 1 1067 . 1 1 97 97 TRP HB2 H 1 3.645 0.02 . 2 . . . . . . . . 5902 1 1068 . 1 1 97 97 TRP HB3 H 1 3.315 0.02 . 2 . . . . . . . . 5902 1 1069 . 1 1 97 97 TRP HD1 H 1 7.344 0.02 . 1 . . . . . . . . 5902 1 1070 . 1 1 97 97 TRP HE1 H 1 10.293 0.02 . 1 . . . . . . . . 5902 1 1071 . 1 1 97 97 TRP HE3 H 1 7.493 0.02 . 1 . . . . . . . . 5902 1 1072 . 1 1 97 97 TRP HZ2 H 1 7.467 0.02 . 1 . . . . . . . . 5902 1 1073 . 1 1 97 97 TRP HZ3 H 1 7.246 0.02 . 1 . . . . . . . . 5902 1 1074 . 1 1 97 97 TRP HH2 H 1 7.342 0.02 . 1 . . . . . . . . 5902 1 1075 . 1 1 97 97 TRP C C 13 179.546 0.2 . 1 . . . . . . . . 5902 1 1076 . 1 1 97 97 TRP CA C 13 62.263 0.2 . 1 . . . . . . . . 5902 1 1077 . 1 1 97 97 TRP CB C 13 28.085 0.2 . 1 . . . . . . . . 5902 1 1078 . 1 1 97 97 TRP CD1 C 13 125.848 0.2 . 1 . . . . . . . . 5902 1 1079 . 1 1 97 97 TRP CE3 C 13 119.384 0.2 . 1 . . . . . . . . 5902 1 1080 . 1 1 97 97 TRP CZ2 C 13 113.934 0.2 . 1 . . . . . . . . 5902 1 1081 . 1 1 97 97 TRP CZ3 C 13 122.033 0.2 . 1 . . . . . . . . 5902 1 1082 . 1 1 97 97 TRP CH2 C 13 126.517 0.2 . 1 . . . . . . . . 5902 1 1083 . 1 1 97 97 TRP N N 15 118.923 0.2 . 1 . . . . . . . . 5902 1 1084 . 1 1 97 97 TRP NE1 N 15 130.578 0.2 . 1 . . . . . . . . 5902 1 1085 . 1 1 98 98 GLU H H 1 8.901 0.02 . 1 . . . . . . . . 5902 1 1086 . 1 1 98 98 GLU HA H 1 3.419 0.02 . 1 . . . . . . . . 5902 1 1087 . 1 1 98 98 GLU HB2 H 1 2.071 0.02 . 2 . . . . . . . . 5902 1 1088 . 1 1 98 98 GLU HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5902 1 1089 . 1 1 98 98 GLU HG2 H 1 2.69 0.02 . 2 . . . . . . . . 5902 1 1090 . 1 1 98 98 GLU HG3 H 1 3.298 0.02 . 2 . . . . . . . . 5902 1 1091 . 1 1 98 98 GLU C C 13 178.288 0.2 . 1 . . . . . . . . 5902 1 1092 . 1 1 98 98 GLU CA C 13 59.888 0.2 . 1 . . . . . . . . 5902 1 1093 . 1 1 98 98 GLU CB C 13 30.416 0.2 . 1 . . . . . . . . 5902 1 1094 . 1 1 98 98 GLU CG C 13 37.279 0.2 . 1 . . . . . . . . 5902 1 1095 . 1 1 98 98 GLU N N 15 119.555 0.2 . 1 . . . . . . . . 5902 1 1096 . 1 1 99 99 ILE H H 1 7.594 0.02 . 1 . . . . . . . . 5902 1 1097 . 1 1 99 99 ILE HA H 1 2.485 0.02 . 1 . . . . . . . . 5902 1 1098 . 1 1 99 99 ILE HB H 1 0.789 0.02 . 1 . . . . . . . . 5902 1 1099 . 1 1 99 99 ILE HG12 H 1 1 0.02 . 1 . . . . . . . . 5902 1 1100 . 1 1 99 99 ILE HG13 H 1 0.019 0.02 . 1 . . . . . . . . 5902 1 1101 . 1 1 99 99 ILE HG21 H 1 0.723 0.02 . 1 . . . . . . . . 5902 1 1102 . 1 1 99 99 ILE HG22 H 1 0.723 0.02 . 1 . . . . . . . . 5902 1 1103 . 1 1 99 99 ILE HG23 H 1 0.723 0.02 . 1 . . . . . . . . 5902 1 1104 . 1 1 99 99 ILE HD11 H 1 0.352 0.02 . 1 . . . . . . . . 5902 1 1105 . 1 1 99 99 ILE HD12 H 1 0.352 0.02 . 1 . . . . . . . . 5902 1 1106 . 1 1 99 99 ILE HD13 H 1 0.352 0.02 . 1 . . . . . . . . 5902 1 1107 . 1 1 99 99 ILE C C 13 173.391 0.2 . 1 . . . . . . . . 5902 1 1108 . 1 1 99 99 ILE CA C 13 65.189 0.2 . 1 . . . . . . . . 5902 1 1109 . 1 1 99 99 ILE CB C 13 36.541 0.2 . 1 . . . . . . . . 5902 1 1110 . 1 1 99 99 ILE CG1 C 13 31.182 0.2 . 1 . . . . . . . . 5902 1 1111 . 1 1 99 99 ILE CG2 C 13 16.657 0.2 . 1 . . . . . . . . 5902 1 1112 . 1 1 99 99 ILE CD1 C 13 15.601 0.2 . 1 . . . . . . . . 5902 1 1113 . 1 1 99 99 ILE N N 15 117.367 0.2 . 1 . . . . . . . . 5902 1 1114 . 1 1 100 100 GLU H H 1 5.966 0.02 . 1 . . . . . . . . 5902 1 1115 . 1 1 100 100 GLU HA H 1 4.013 0.02 . 1 . . . . . . . . 5902 1 1116 . 1 1 100 100 GLU HB2 H 1 1.609 0.02 . 2 . . . . . . . . 5902 1 1117 . 1 1 100 100 GLU HB3 H 1 1.814 0.02 . 2 . . . . . . . . 5902 1 1118 . 1 1 100 100 GLU HG2 H 1 2.076 0.02 . 2 . . . . . . . . 5902 1 1119 . 1 1 100 100 GLU HG3 H 1 2.305 0.02 . 2 . . . . . . . . 5902 1 1120 . 1 1 100 100 GLU C C 13 177.07 0.2 . 1 . . . . . . . . 5902 1 1121 . 1 1 100 100 GLU CA C 13 57.019 0.2 . 1 . . . . . . . . 5902 1 1122 . 1 1 100 100 GLU CB C 13 31.044 0.2 . 1 . . . . . . . . 5902 1 1123 . 1 1 100 100 GLU CG C 13 36.024 0.2 . 1 . . . . . . . . 5902 1 1124 . 1 1 100 100 GLU N N 15 113.401 0.2 . 1 . . . . . . . . 5902 1 1125 . 1 1 101 101 ASN H H 1 7.616 0.02 . 1 . . . . . . . . 5902 1 1126 . 1 1 101 101 ASN HA H 1 4.444 0.02 . 1 . . . . . . . . 5902 1 1127 . 1 1 101 101 ASN HB2 H 1 1.705 0.02 . 2 . . . . . . . . 5902 1 1128 . 1 1 101 101 ASN HB3 H 1 0.425 0.02 . 2 . . . . . . . . 5902 1 1129 . 1 1 101 101 ASN HD21 H 1 6.929 0.02 . 2 . . . . . . . . 5902 1 1130 . 1 1 101 101 ASN HD22 H 1 5.923 0.02 . 2 . . . . . . . . 5902 1 1131 . 1 1 101 101 ASN C C 13 174.458 0.2 . 1 . . . . . . . . 5902 1 1132 . 1 1 101 101 ASN CA C 13 54.32 0.2 . 1 . . . . . . . . 5902 1 1133 . 1 1 101 101 ASN CB C 13 40.452 0.2 . 1 . . . . . . . . 5902 1 1134 . 1 1 101 101 ASN N N 15 112.775 0.2 . 1 . . . . . . . . 5902 1 1135 . 1 1 101 101 ASN ND2 N 15 116.449 0.2 . 1 . . . . . . . . 5902 1 1136 . 1 1 102 102 ASN H H 1 9.201 0.02 . 1 . . . . . . . . 5902 1 1137 . 1 1 102 102 ASN HA H 1 5.026 0.02 . 1 . . . . . . . . 5902 1 1138 . 1 1 102 102 ASN HB2 H 1 2.868 0.02 . 2 . . . . . . . . 5902 1 1139 . 1 1 102 102 ASN HB3 H 1 2.512 0.02 . 2 . . . . . . . . 5902 1 1140 . 1 1 102 102 ASN HD21 H 1 8.035 0.02 . 2 . . . . . . . . 5902 1 1141 . 1 1 102 102 ASN HD22 H 1 7.071 0.02 . 2 . . . . . . . . 5902 1 1142 . 1 1 102 102 ASN C C 13 174.393 0.2 . 1 . . . . . . . . 5902 1 1143 . 1 1 102 102 ASN CA C 13 51.455 0.2 . 1 . . . . . . . . 5902 1 1144 . 1 1 102 102 ASN CB C 13 38.671 0.2 . 1 . . . . . . . . 5902 1 1145 . 1 1 102 102 ASN N N 15 117.992 0.2 . 1 . . . . . . . . 5902 1 1146 . 1 1 102 102 ASN ND2 N 15 109.629 0.2 . 1 . . . . . . . . 5902 1 1147 . 1 1 103 103 PRO HA H 1 4.306 0.02 . 1 . . . . . . . . 5902 1 1148 . 1 1 103 103 PRO HB2 H 1 2.313 0.02 . 2 . . . . . . . . 5902 1 1149 . 1 1 103 103 PRO HB3 H 1 2.115 0.02 . 2 . . . . . . . . 5902 1 1150 . 1 1 103 103 PRO HG2 H 1 1.946 0.02 . 2 . . . . . . . . 5902 1 1151 . 1 1 103 103 PRO HG3 H 1 1.821 0.02 . 2 . . . . . . . . 5902 1 1152 . 1 1 103 103 PRO HD2 H 1 3.239 0.02 . 1 . . . . . . . . 5902 1 1153 . 1 1 103 103 PRO HD3 H 1 3.239 0.02 . 1 . . . . . . . . 5902 1 1154 . 1 1 103 103 PRO C C 13 177.396 0.2 . 1 . . . . . . . . 5902 1 1155 . 1 1 103 103 PRO CA C 13 64.531 0.2 . 1 . . . . . . . . 5902 1 1156 . 1 1 103 103 PRO CB C 13 31.467 0.2 . 1 . . . . . . . . 5902 1 1157 . 1 1 103 103 PRO CG C 13 30.788 0.2 . 1 . . . . . . . . 5902 1 1158 . 1 1 103 103 PRO CD C 13 42.976 0.2 . 1 . . . . . . . . 5902 1 1159 . 1 1 104 104 THR H H 1 7.666 0.02 . 1 . . . . . . . . 5902 1 1160 . 1 1 104 104 THR HA H 1 4.327 0.02 . 1 . . . . . . . . 5902 1 1161 . 1 1 104 104 THR HB H 1 4.47 0.02 . 1 . . . . . . . . 5902 1 1162 . 1 1 104 104 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5902 1 1163 . 1 1 104 104 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5902 1 1164 . 1 1 104 104 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5902 1 1165 . 1 1 104 104 THR C C 13 174.723 0.2 . 1 . . . . . . . . 5902 1 1166 . 1 1 104 104 THR CA C 13 60.896 0.2 . 1 . . . . . . . . 5902 1 1167 . 1 1 104 104 THR CB C 13 68.251 0.2 . 1 . . . . . . . . 5902 1 1168 . 1 1 104 104 THR CG2 C 13 21.319 0.2 . 1 . . . . . . . . 5902 1 1169 . 1 1 104 104 THR N N 15 107.505 0.2 . 1 . . . . . . . . 5902 1 1170 . 1 1 105 105 VAL H H 1 7.312 0.02 . 1 . . . . . . . . 5902 1 1171 . 1 1 105 105 VAL HA H 1 3.85 0.02 . 1 . . . . . . . . 5902 1 1172 . 1 1 105 105 VAL HB H 1 2.434 0.02 . 1 . . . . . . . . 5902 1 1173 . 1 1 105 105 VAL HG11 H 1 1.099 0.02 . 2 . . . . . . . . 5902 1 1174 . 1 1 105 105 VAL HG12 H 1 1.099 0.02 . 2 . . . . . . . . 5902 1 1175 . 1 1 105 105 VAL HG13 H 1 1.099 0.02 . 2 . . . . . . . . 5902 1 1176 . 1 1 105 105 VAL HG21 H 1 1.225 0.02 . 2 . . . . . . . . 5902 1 1177 . 1 1 105 105 VAL HG22 H 1 1.225 0.02 . 2 . . . . . . . . 5902 1 1178 . 1 1 105 105 VAL HG23 H 1 1.225 0.02 . 2 . . . . . . . . 5902 1 1179 . 1 1 105 105 VAL C C 13 172.386 0.2 . 1 . . . . . . . . 5902 1 1180 . 1 1 105 105 VAL CA C 13 62.532 0.2 . 1 . . . . . . . . 5902 1 1181 . 1 1 105 105 VAL CB C 13 31.15 0.2 . 1 . . . . . . . . 5902 1 1182 . 1 1 105 105 VAL CG1 C 13 21.524 0.2 . 2 . . . . . . . . 5902 1 1183 . 1 1 105 105 VAL CG2 C 13 19.359 0.2 . 2 . . . . . . . . 5902 1 1184 . 1 1 105 105 VAL N N 15 123.22 0.2 . 1 . . . . . . . . 5902 1 1185 . 1 1 106 106 LYS H H 1 8.076 0.02 . 1 . . . . . . . . 5902 1 1186 . 1 1 106 106 LYS HA H 1 4.089 0.02 . 1 . . . . . . . . 5902 1 1187 . 1 1 106 106 LYS HB2 H 1 1.765 0.02 . 2 . . . . . . . . 5902 1 1188 . 1 1 106 106 LYS HB3 H 1 1.560 0.02 . 2 . . . . . . . . 5902 1 1189 . 1 1 106 106 LYS HG2 H 1 1.412 0.02 . 2 . . . . . . . . 5902 1 1190 . 1 1 106 106 LYS HG3 H 1 1.254 0.02 . 2 . . . . . . . . 5902 1 1191 . 1 1 106 106 LYS HD2 H 1 1.598 0.02 . 1 . . . . . . . . 5902 1 1192 . 1 1 106 106 LYS HD3 H 1 1.598 0.02 . 1 . . . . . . . . 5902 1 1193 . 1 1 106 106 LYS HE2 H 1 2.918 0.02 . 1 . . . . . . . . 5902 1 1194 . 1 1 106 106 LYS HE3 H 1 2.918 0.02 . 1 . . . . . . . . 5902 1 1195 . 1 1 106 106 LYS C C 13 176.03 0.2 . 1 . . . . . . . . 5902 1 1196 . 1 1 106 106 LYS CA C 13 54.847 0.2 . 1 . . . . . . . . 5902 1 1197 . 1 1 106 106 LYS CB C 13 33.898 0.2 . 1 . . . . . . . . 5902 1 1198 . 1 1 106 106 LYS CG C 13 24.423 0.2 . 1 . . . . . . . . 5902 1 1199 . 1 1 106 106 LYS CD C 13 28.193 0.2 . 1 . . . . . . . . 5902 1 1200 . 1 1 106 106 LYS CE C 13 42.038 0.2 . 1 . . . . . . . . 5902 1 1201 . 1 1 106 106 LYS N N 15 122.914 0.2 . 1 . . . . . . . . 5902 1 1202 . 1 1 107 107 ALA H H 1 8.344 0.02 . 1 . . . . . . . . 5902 1 1203 . 1 1 107 107 ALA HA H 1 4.275 0.02 . 1 . . . . . . . . 5902 1 1204 . 1 1 107 107 ALA HB1 H 1 1.435 0.02 . 1 . . . . . . . . 5902 1 1205 . 1 1 107 107 ALA HB2 H 1 1.435 0.02 . 1 . . . . . . . . 5902 1 1206 . 1 1 107 107 ALA HB3 H 1 1.435 0.02 . 1 . . . . . . . . 5902 1 1207 . 1 1 107 107 ALA C C 13 177.55 0.2 . 1 . . . . . . . . 5902 1 1208 . 1 1 107 107 ALA CA C 13 52.612 0.2 . 1 . . . . . . . . 5902 1 1209 . 1 1 107 107 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5902 1 1210 . 1 1 107 107 ALA N N 15 122.019 0.2 . 1 . . . . . . . . 5902 1 1211 . 1 1 108 108 SER H H 1 8.266 0.02 . 1 . . . . . . . . 5902 1 1212 . 1 1 108 108 SER HA H 1 4.463 0.02 . 1 . . . . . . . . 5902 1 1213 . 1 1 108 108 SER HB2 H 1 3.872 0.02 . 1 . . . . . . . . 5902 1 1214 . 1 1 108 108 SER HB3 H 1 3.872 0.02 . 1 . . . . . . . . 5902 1 1215 . 1 1 108 108 SER C C 13 174.637 0.2 . 1 . . . . . . . . 5902 1 1216 . 1 1 108 108 SER CA C 13 58.273 0.2 . 1 . . . . . . . . 5902 1 1217 . 1 1 108 108 SER CB C 13 63.706 0.2 . 1 . . . . . . . . 5902 1 1218 . 1 1 108 108 SER N N 15 133.684 0.2 . 1 . . . . . . . . 5902 1 1219 . 1 1 109 109 GLY H H 1 8.319 0.02 . 1 . . . . . . . . 5902 1 1220 . 1 1 109 109 GLY HA2 H 1 3.838 0.02 . 2 . . . . . . . . 5902 1 1221 . 1 1 109 109 GLY HA3 H 1 3.969 0.02 . 2 . . . . . . . . 5902 1 1222 . 1 1 109 109 GLY C C 13 172.722 0.2 . 1 . . . . . . . . 5902 1 1223 . 1 1 109 109 GLY CA C 13 45.079 0.2 . 1 . . . . . . . . 5902 1 1224 . 1 1 109 109 GLY N N 15 110.277 0.2 . 1 . . . . . . . . 5902 1 1225 . 1 1 110 110 TYR H H 1 7.646 0.02 . 1 . . . . . . . . 5902 1 1226 . 1 1 110 110 TYR HA H 1 4.420 0.02 . 1 . . . . . . . . 5902 1 1227 . 1 1 110 110 TYR HB2 H 1 3.102 0.02 . 2 . . . . . . . . 5902 1 1228 . 1 1 110 110 TYR HB3 H 1 2.894 0.02 . 2 . . . . . . . . 5902 1 1229 . 1 1 110 110 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5902 1 1230 . 1 1 110 110 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5902 1 1231 . 1 1 110 110 TYR HE1 H 1 6.843 0.02 . 1 . . . . . . . . 5902 1 1232 . 1 1 110 110 TYR HE2 H 1 6.843 0.02 . 1 . . . . . . . . 5902 1 1233 . 1 1 110 110 TYR C C 13 180.296 0.2 . 1 . . . . . . . . 5902 1 1234 . 1 1 110 110 TYR CA C 13 59.095 0.2 . 1 . . . . . . . . 5902 1 1235 . 1 1 110 110 TYR CB C 13 39.295 0.2 . 1 . . . . . . . . 5902 1 1236 . 1 1 110 110 TYR CD1 C 13 132.6 0.2 . 1 . . . . . . . . 5902 1 1237 . 1 1 110 110 TYR CD2 C 13 132.6 0.2 . 1 . . . . . . . . 5902 1 1238 . 1 1 110 110 TYR CE1 C 13 116.817 0.2 . 1 . . . . . . . . 5902 1 1239 . 1 1 110 110 TYR CE2 C 13 116.817 0.2 . 1 . . . . . . . . 5902 1 1240 . 1 1 110 110 TYR N N 15 124.142 0.2 . 1 . . . . . . . . 5902 1 stop_ save_